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

Systemtic Name: 3-[(4-chlorophenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(4-chloroanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-chloroanilino)-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(4-chloroanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(4-chloroanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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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)Cl)[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)Cl)[N+]3=CC=CC=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O3S/c1-14-5-6-15(13-18(14)25(27)28)20(26)19(24-11-3-2-4-12-24)21(29)23-17-9-7-16(22)8-10-17/h2-13H,1H3,(H-,23,26,29)