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

Systemtic Name: 1-(2-bromophenyl)-3-[(3-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-bromophenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-bromophenyl)-3-mercapto-3-(3-methylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-bromophenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-bromophenyl)-3-mercapto-3-(m-toluidino)-2-pyridin-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=CC(=CC=C1)NC(=C(C(=O)C2=CC=CC=C2Br)[N+]3=CC=CC=C3)S

Isomeric SMILES

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

InChI

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