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

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-methoxyphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-methoxyphenyl)-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-methoxyphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-methoxyphenyl)-3-(p-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C(=C(C2=CC=C(C=C2)OC)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)/C(=C(/C2=CC=C(C=C2)OC)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C22H20N2O2S/c1-16-6-10-18(11-7-16)23-22(27)20(24-14-4-3-5-15-24)21(25)17-8-12-19(26-2)13-9-17/h3-15H,1-2H3,(H-,23,25,27)