1-(1-methylsulfanyl-3-oxidanylidene-3-phenyl-1-sulfanyl-prop-1-en-2-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-(1-methylsulfanyl-3-oxidanylidene-3-phenyl-1-sulfanyl-prop-1-en-2-yl)pyridin-1-ium-3-carboxamide Openeye Name: 1-(1-benzoyl-2-methylsulfanyl-2-sulfanyl-vinyl)pyridin-1-ium-3-carboxamide CAS Name: 1-[1-mercapto-1-(methylthio)-3-oxo-3-phenylprop-1-en-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-(1-methylsulfanyl-3-oxo-3-phenyl-1-sulfanylprop-1-en-2-yl)pyridin-1-ium-3-carboxamide Traditional Name: 1-[1-benzoyl-2-mercapto-2-(methylthio)vinyl]pyridin-1-ium-3-carboxamide Formula: C16H15N2O2S2+ MolecularWeight: 331.4325

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC(=C2)C(=O)N)S

Isomeric SMILES

CSC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC(=C2)C(=O)N)S

InChI

InChI=1S/C16H14N2O2S2/c1-22-16(21)13(14(19)11-6-3-2-4-7-11)18-9-5-8-12(10-18)15(17)20/h2-10H,1H3,(H2-,17,19,20,21)/p+1