1-(3,4-dimethylphenyl)-3-[(3-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(3-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(3,4-dimethylphenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(3,4-dimethylphenyl)-3-(3-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(3,4-dimethylphenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(3,4-dimethylphenyl)-3-(m-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H22N2OS MolecularWeight: 374.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC(=C(C=C2)C)C)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC(=C(C=C2)C)C)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C23H22N2OS/c1-16-8-7-9-20(14-16)24-23(27)21(25-12-5-4-6-13-25)22(26)19-11-10-17(2)18(3)15-19/h4-15H,1-3H3,(H-,24,26,27)