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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(3,4-dimethylphenyl)-3-(2-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(3,4-dimethylphenyl)-3-(o-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=C(C=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2C)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2C)[N+]3=CC=CC=C3)[O-])C

InChI

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