(Z)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-1-(4-methoxyphenyl)-3-(3-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-mercapto-1-(4-methoxyphenyl)-3-(3-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-1-(4-methoxyphenyl)-3-(3-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-mercapto-1-(4-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(m-toluidino)prop-2-en-1-one Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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