1-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C20H17ClN3O2S+ MolecularWeight: 398.88588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O2S/c21-15-7-9-16(10-8-15)27-18-6-2-1-5-17(18)23-19(25)13-24-11-3-4-14(12-24)20(22)26/h1-12H,13H2,(H2-,22,23,25,26)/p+1