(E)-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-(phenylmethylsulfanyl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-(phenylmethylsulfanyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(4-methyl-1-pyridin-1-iumyl)-1-phenyl-3-(phenylmethylthio)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylthio)-2-(4-methylpyridin-1-ium-1-yl)-1-phenyl-3-thioxo-prop-1-en-1-olate Formula: C22H19NOS2 MolecularWeight: 377.52236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=C(C2=CC=CC=C2)[O-])C(=S)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=[N+](C=C1)/C(=C(\C2=CC=CC=C2)/[O-])/C(=S)SCC3=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