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

Systemtic Name: 1-methyl-5-[(E)-2-(2-methylsulfanylphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 1-methyl-5-[(E)-2-(2-methylsulfanylphenyl)vinyl]-2,3-dihydro-1,4-benzodiazepine CAS Name: 1-methyl-5-[(E)-2-[2-(methylthio)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 1-methyl-5-[(E)-2-(2-methylsulfanylphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Traditional Name: 1-methyl-5-[(E)-2-[2-(methylthio)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine Formula: C19H20N2S MolecularWeight: 308.4405

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3SC

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3SC

InChI

InChI=1S/C19H20N2S/c1-21-14-13-20-17(16-8-4-5-9-18(16)21)12-11-15-7-3-6-10-19(15)22-2/h3-12H,13-14H2,1-2H3/b12-11+