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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3CSC4=CC=CC=C4

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3CSC4=CC=CC=C4

InChI

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