3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-chloro-2-methylanilino)-1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(3-nitrophenyl)-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=CC=C1Cl)NC(=S)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC=C3

InChI

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