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

Systemtic Name: (Z)-1-(4-methoxyphenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-1-(4-methoxyphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-mercapto-1-(4-methoxyphenyl)-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-1-(4-methoxyphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-mercapto-1-(4-methoxyphenyl)-3-(p-toluidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H21N2O2S+ MolecularWeight: 377.47934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2S/c1-16-6-10-18(11-7-16)23-22(27)20(24-14-4-3-5-15-24)21(25)17-8-12-19(26-2)13-9-17/h3-15H,1-2H3,(H-,23,25,27)/p+1