2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-(phenylmethylsulfanyl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-(phenylmethylsulfanyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-2-(4-methyl-1-pyridin-1-iumyl)-1-phenyl-3-(phenylmethylthio)-2-propen-1-one IUPAC Name: 3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(benzylthio)-3-mercapto-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-prop-2-en-1-one Formula: C22H20NOS2+ MolecularWeight: 378.5303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=C(S)SCC2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=[N+](C=C1)C(=C(S)SCC2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19NOS2/c1-17-12-14-23(15-13-17)20(21(24)19-10-6-3-7-11-19)22(25)26-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3/p+1