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

Systemtic Name: 1-(4-ethylphenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-ethylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-ethylphenyl)-3-mercapto-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-ethylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)C)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)C)S)[N+]3=CC=CC=C3

InChI

InChI=1S/C23H22N2OS/c1-3-18-9-11-19(12-10-18)22(26)21(25-15-5-4-6-16-25)23(27)24-20-13-7-17(2)8-14-20/h4-16H,3H2,1-2H3,(H-,24,26,27)/p+1