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

Systemtic Name: (Z)-1-(4-methylphenyl)-3-[(3-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-(3-methylanilino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-mercapto-3-(3-methylanilino)-1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-(3-methylanilino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-mercapto-3-(m-toluidino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H21N2OS+ MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2OS/c1-16-9-11-18(12-10-16)21(25)20(24-13-4-3-5-14-24)22(26)23-19-8-6-7-17(2)15-19/h3-15H,1-2H3,(H-,23,25,26)/p+1