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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-(m-anisidino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O2S/c1-16-10-11-18(14-17(16)2)22(26)21(25-12-5-4-6-13-25)23(28)24-19-8-7-9-20(15-19)27-3/h4-15H,1-3H3,(H-,24,26,28)/p+1