5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-methyl-8-(3-thienyl)-2,3-dihydro-1,4-benzodiazepine CAS Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-(3-thiophenyl)-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-methyl-8-(3-thienyl)-2,3-dihydro-1,4-benzodiazepine Formula: C22H18Cl2N2S MolecularWeight: 413.36272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=C(C=C2)C3=CSC=C3)C=CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1CCN=C(C2=C1C=C(C=C2)C3=CSC=C3)/C=C/C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2S/c1-26-10-9-25-21(7-3-15-2-6-19(23)20(24)12-15)18-5-4-16(13-22(18)26)17-8-11-27-14-17/h2-8,11-14H,9-10H2,1H3/b7-3+