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

Systemtic Name: 1-(4-chlorophenyl)-3-[(4-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-chlorophenyl)-3-(4-methoxyanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-chlorophenyl)-3-(4-methoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-chlorophenyl)-3-(4-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-chlorophenyl)-3-(p-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=C(C=C1)NC(=S)C(=C(C2=CC=C(C=C2)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

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

InChI

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