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

Systemtic Name: 3-[(4-methoxyphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(4-methoxyanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-methoxyanilino)-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(4-methoxyanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-methyl-3-nitro-phenyl)-3-(p-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=CC=C(C=C2)OC)[N+]3=CC=CC=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=CC=C(C=C2)OC)[N+]3=CC=CC=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-15-6-7-16(14-19(15)25(27)28)21(26)20(24-12-4-3-5-13-24)22(30)23-17-8-10-18(29-2)11-9-17/h3-14H,1-2H3,(H-,23,26,30)