1-[4-(4-methylphenyl)sulfanyl-6-oxidanidyl-thieno[2,3-c]pyridin-6-ium-2-yl]ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfanyl-6-oxidanidyl-thieno[2,3-c]pyridin-6-ium-2-yl]ethanone Openeye Name: 1-[6-oxido-4-(p-tolylsulfanyl)thieno[2,3-c]pyridin-6-ium-2-yl]ethanone CAS Name: 1-[4-[(4-methylphenyl)thio]-6-oxido-2-thieno[2,3-c]pyridin-6-iumyl]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfanyl-6-oxidothieno[2,3-c]pyridin-6-ium-2-yl]ethanone Traditional Name: 1-[6-oxido-4-(p-tolylthio)thieno[2,3-c]pyridin-6-ium-2-yl]ethanone Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C=C(SC3=C[N+](=C2)[O-])C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C=C(SC3=C[N+](=C2)[O-])C(=O)C

InChI

InChI=1S/C16H13NO2S2/c1-10-3-5-12(6-4-10)20-15-8-17(19)9-16-13(15)7-14(21-16)11(2)18/h3-9H,1-2H3