1-[1-(4-chlorophenyl)-6-methyl-4-(phenylmethylsulfanyl)-2-sulfanylidene-pyridin-3-yl]ethanone

Systemtic Name: 1-[1-(4-chlorophenyl)-6-methyl-4-(phenylmethylsulfanyl)-2-sulfanylidene-pyridin-3-yl]ethanone Openeye Name: 1-[4-benzylsulfanyl-1-(4-chlorophenyl)-6-methyl-2-thioxo-3-pyridyl]ethanone CAS Name: 1-[1-(4-chlorophenyl)-6-methyl-4-(phenylmethylthio)-2-sulfanylidene-3-pyridinyl]ethanone IUPAC Name: 1-[4-benzylsulfanyl-1-(4-chlorophenyl)-6-methyl-2-sulfanylidenepyridin-3-yl]ethanone Traditional Name: 1-[4-(benzylthio)-1-(4-chlorophenyl)-6-methyl-2-thioxo-3-pyridyl]ethanone Formula: C21H18ClNOS2 MolecularWeight: 399.95672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C2=CC=C(C=C2)Cl)C(=O)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=S)N1C2=CC=C(C=C2)Cl)C(=O)C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H18ClNOS2/c1-14-12-19(26-13-16-6-4-3-5-7-16)20(15(2)24)21(25)23(14)18-10-8-17(22)9-11-18/h3-12H,13H2,1-2H3