3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-(phenylmethylsulfanyl)aniline

Systemtic Name: 3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-(phenylmethylsulfanyl)aniline Openeye Name: 4-benzylsulfanyl-3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]aniline CAS Name: 3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-(phenylmethylthio)aniline IUPAC Name: 4-benzylsulfanyl-3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]aniline Traditional Name: [4-(benzylthio)-3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]phenyl]amine Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=C(C=CC(=C3)N)SCC4=CC=CC=C4

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=C(C=CC(=C3)N)SCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3S/c1-28-16-15-27-23(22-9-5-6-10-24(22)28)13-11-20-17-21(26)12-14-25(20)29-18-19-7-3-2-4-8-19/h2-14,17H,15-16,18,26H2,1H3/b13-11+