1-(4-chlorophenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(4-chlorophenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-chlorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-chlorophenyl)-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-chlorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-chlorophenyl)-3-(m-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC=C(C=C2)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC=C(C=C2)Cl)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O2S/c1-26-18-7-5-6-17(14-18)23-21(27)19(24-12-3-2-4-13-24)20(25)15-8-10-16(22)11-9-15/h2-14H,1H3,(H-,23,25,27)