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

Systemtic Name: 1-(2-bromophenyl)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-bromophenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-bromophenyl)-3-mercapto-3-(4-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-bromophenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-bromophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(p-toluidino)prop-2-en-1-one Formula: C22H20BrN2OS+ MolecularWeight: 440.376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CC=C2Br)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CC=C2Br)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C22H19BrN2OS/c1-15-9-11-17(12-10-15)24-22(27)20(25-13-5-6-16(2)14-25)21(26)18-7-3-4-8-19(18)23/h3-14H,1-2H3,(H-,24,26,27)/p+1