1H-1,4-benzodiazepin-2-ylmethanamine; propane-1,1-dithiol

Systemtic Name: 1H-1,4-benzodiazepin-2-ylmethanamine; propane-1,1-dithiol Openeye Name: 1H-1,4-benzodiazepin-2-ylmethanamine; propane-1,1-dithiol CAS Name: 1H-1,4-benzodiazepin-2-ylmethanamine; propane-1,1-dithiol IUPAC Name: 1H-1,4-benzodiazepin-2-ylmethanamine; propane-1,1-dithiol Traditional Name: 1H-1,4-benzodiazepin-2-ylmethylamine; propane-1,1-dithiol Formula: C13H19N3S2 MolecularWeight: 281.44006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(S)S.C1=CC=C2C(=C1)C=NC=C(N2)CN

Isomeric SMILES

CCC(S)S.C1=CC=C2C(=C1)C=NC=C(N2)CN

InChI

InChI=1S/C10H11N3.C3H8S2/c11-5-9-7-12-6-8-3-1-2-4-10(8)13-9;1-2-3(4)5/h1-4,6-7,13H,5,11H2;3-5H,2H2,1H3