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

Systemtic Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-methyl-8-(2-thienyl)-2,3-dihydro-1,4-benzodiazepine CAS Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-methyl-8-(2-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=CC=CS3)C=CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1CCN=C(C2=C1C=C(C=C2)C3=CC=CS3)/C=C/C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2S/c1-26-11-10-25-20(9-5-15-4-8-18(23)19(24)13-15)17-7-6-16(14-21(17)26)22-3-2-12-27-22/h2-9,12-14H,10-11H2,1H3/b9-5+