3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2,6-dimethylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-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(=CC=C2)[N+](=O)[O-])[O-])C(=S)NC3=C(C=CC=C3C)C

Isomeric SMILES

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

InChI

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