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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(p-toluidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H23N2OS+ MolecularWeight: 375.50652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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