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

Systemtic Name: 5-[(E)-2-[2-(4-methoxyphenyl)sulfanylphenyl]ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-[2-(4-methoxyphenyl)sulfanylphenyl]vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 5-[(E)-2-[2-[(4-methoxyphenyl)thio]phenyl]ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-[2-(4-methoxyphenyl)sulfanylphenyl]ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-[2-[(4-methoxyphenyl)thio]phenyl]vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3SC4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3SC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N2OS/c1-27-18-17-26-23(22-8-4-5-9-24(22)27)16-11-19-7-3-6-10-25(19)29-21-14-12-20(28-2)13-15-21/h3-16H,17-18H2,1-2H3/b16-11+