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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-3-[(2-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(2-methylanilino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2-methylanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(2-methylanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(o-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-])C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-])C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C23H21N3O3S/c1-15-7-6-12-25(14-15)21(23(30)24-19-9-5-4-8-16(19)2)22(27)18-11-10-17(3)20(13-18)26(28)29/h4-14H,1-3H3,(H-,24,27,30)