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

Systemtic Name: (E)-3-[(3-chlorophenyl)amino]-1-(4-methylphenyl)-3-pyridin-1-ium-1-yl-2-sulfanyl-prop-2-en-1-one Openeye Name: (E)-3-(3-chloroanilino)-1-(p-tolyl)-3-pyridin-1-ium-1-yl-2-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-(3-chloroanilino)-2-mercapto-1-(4-methylphenyl)-3-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloroanilino)-1-(4-methylphenyl)-3-pyridin-1-ium-1-yl-2-sulfanylprop-2-en-1-one Traditional Name: (E)-3-(3-chloroanilino)-2-mercapto-1-(p-tolyl)-3-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H18ClN2OS+ MolecularWeight: 381.89842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2OS/c1-15-8-10-16(11-9-15)19(25)20(26)21(24-12-3-2-4-13-24)23-18-7-5-6-17(22)14-18/h2-14H,1H3,(H-,23,25,26)/p+1