(E)-1-(2-bromophenyl)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2-bromophenyl)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2-bromophenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2-bromophenyl)-3-(4-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2-bromophenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(p-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C22H19BrN2OS MolecularWeight: 439.36806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)