7-methyl-4-methylsulfanyl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine

Systemtic Name: 7-methyl-4-methylsulfanyl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine Openeye Name: 7-methyl-4-methylsulfanyl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine CAS Name: 7-methyl-4-(methylthio)-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine IUPAC Name: 7-methyl-4-methylsulfanyl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine Traditional Name: 7-methyl-4-(methylthio)-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine Formula: C18H15F3N2S MolecularWeight: 348.38531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(CC(=N2)SC)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(CC(=N2)SC)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N2S/c1-11-3-8-14-16(9-11)23-17(24-2)10-15(22-14)12-4-6-13(7-5-12)18(19,20)21/h3-9H,10H2,1-2H3