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

Systemtic Name: (Z)-3-[(3-methoxyphenyl)amino]-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-(3-methoxyanilino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-mercapto-3-(3-methoxyanilino)-1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-(3-methoxyanilino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-(m-anisidino)-3-mercapto-1-(p-tolyl)-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)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC=C3

Isomeric SMILES

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

InChI

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