7-chloranyl-3-(2-methylpropyl)-2-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepine

Systemtic Name: 7-chloranyl-3-(2-methylpropyl)-2-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepine Openeye Name: 7-chloro-3-isobutyl-2-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepine CAS Name: 7-chloro-3-(2-methylpropyl)-2-(methylthio)-5-phenyl-3H-1,4-benzodiazepine IUPAC Name: 7-chloro-3-(2-methylpropyl)-2-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepine Traditional Name: 7-chloro-3-isobutyl-2-(methylthio)-5-phenyl-3H-1,4-benzodiazepine Formula: C20H21ClN2S MolecularWeight: 356.91214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SC

Isomeric SMILES

CC(C)CC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SC

InChI

InChI=1S/C20H21ClN2S/c1-13(2)11-18-20(24-3)23-17-10-9-15(21)12-16(17)19(22-18)14-7-5-4-6-8-14/h4-10,12-13,18H,11H2,1-3H3