1-methyl-5-[(E)-2-[2-(phenylmethylsulfanyl)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 1-methyl-5-[(E)-2-[2-(phenylmethylsulfanyl)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(2-benzylsulfanylphenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 1-methyl-5-[(E)-2-[2-(phenylmethylthio)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-(2-benzylsulfanylphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-[2-(benzylthio)phenyl]vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C25H24N2S MolecularWeight: 384.53646

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2S/c1-27-18-17-26-23(22-12-6-7-13-24(22)27)16-15-21-11-5-8-14-25(21)28-19-20-9-3-2-4-10-20/h2-16H,17-19H2,1H3/b16-15+