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

Systemtic Name: 3-[(4-methoxyphenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(4-methoxyanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-methoxyanilino)-1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(4-methoxyanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(3-nitrophenyl)-3-(p-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c1-28-18-10-8-16(9-11-18)22-21(29)19(23-12-3-2-4-13-23)20(25)15-6-5-7-17(14-15)24(26)27/h2-14H,1H3,(H-,22,25,29)