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

Systemtic Name: 5-[(E)-2-[2-(cyclohexylmethylsulfanyl)phenyl]ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-[2-(cyclohexylmethylsulfanyl)phenyl]vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 5-[(E)-2-[2-(cyclohexylmethylthio)phenyl]ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-[2-(cyclohexylmethylsulfanyl)phenyl]ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-[2-(cyclohexylmethylthio)phenyl]vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C25H30N2S MolecularWeight: 390.5841

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3SCC4CCCCC4

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3SCC4CCCCC4

InChI

InChI=1S/C25H30N2S/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/h5-8,11-16,20H,2-4,9-10,17-19H2,1H3/b16-15+