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

Systemtic Name: 1-methyl-5-[(E)-2-[2-(1-phenylethylsulfanyl)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 1-methyl-5-[(E)-2-[2-(1-phenylethylsulfanyl)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine CAS Name: 1-methyl-5-[(E)-2-[2-(1-phenylethylthio)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 1-methyl-5-[(E)-2-[2-(1-phenylethylsulfanyl)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine Traditional Name: 1-methyl-5-[(E)-2-[2-(1-phenylethylthio)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine Formula: C26H26N2S MolecularWeight: 398.56304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2S/c1-20(21-10-4-3-5-11-21)29-26-15-9-6-12-22(26)16-17-24-23-13-7-8-14-25(23)28(2)19-18-27-24/h3-17,20H,18-19H2,1-2H3/b17-16+