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

Systemtic Name: 1-methyl-5-[(E)-2-[2-(4-methylphenyl)sulfanylphenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 1-methyl-5-[(E)-2-[2-(p-tolylsulfanyl)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine CAS Name: 1-methyl-5-[(E)-2-[2-[(4-methylphenyl)thio]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 1-methyl-5-[(E)-2-[2-(4-methylphenyl)sulfanylphenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine Traditional Name: 1-methyl-5-[(E)-2-[2-(p-tolylthio)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine Formula: C25H24N2S MolecularWeight: 384.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C=CC3=NCCN(C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2/C=C/C3=NCCN(C4=CC=CC=C43)C

InChI

InChI=1S/C25H24N2S/c1-19-11-14-21(15-12-19)28-25-10-6-3-7-20(25)13-16-23-22-8-4-5-9-24(22)27(2)18-17-26-23/h3-16H,17-18H2,1-2H3/b16-13+