1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(2-bromophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(2-bromophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C21H18BrN2OS+ MolecularWeight: 426.34942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H17BrN2OS/c1-15-8-7-13-24(14-15)19(20(25)17-11-5-6-12-18(17)22)21(26)23-16-9-3-2-4-10-16/h2-14H,1H3,(H-,23,25,26)/p+1