Suicidal behaviors are a significant concern during adolescence, a period marked by critical maturational changes in brain structure and neurocognitive function. Our research investigated the neural and structural brain alterations associated with suicidal behaviors in adolescents, integrating functional neuroimaging and morphometric analysis to enhance the understanding of underlying mechanisms and improve risk identification. We examined three adolescent groups (total N = 96; 78% females, age range 11.6–18.1 years): patients with depressive disorders with a history of suicide attempts (SA); patient controls with depressive disorders but without suicide attempts (PC); and healthy controls (HC). Functional MRI data were collected during the Cyberball Game (assessing social inclusion/exclusion) and the Go-NoGo task (evaluating response inhibition). Structural MRI scans provided measurements of cortical thickness, surface area, and subcortical volumes. Functional neuroimaging revealed that SA exhibited altered neural activation in response to social exclusion and impaired cognitive control, with significant differences in the left insula and right middle prefrontal gyrus compared to PC and HC. Structural analyses identified atypical measurements in the prefrontal, temporal, and parietal regions' surface area, and subcortical volumes, distinguishing SA from HC but not PC. Notably, SA demonstrated unique maturation patterns in cortical and subcortical regions, diverging from the typical developmental trajectories observed in PC and HC. Our research underscores the potential of multidomain neuroimaging in elucidating the complex neurobiological underpinnings of suicidal behaviors in adolescence. Alterations in social perception, cognitive control, and brain structure may collectively contribute to the vulnerability to suicide, highlighting the importance of integrating various neuroimaging modalities for early identification and intervention.