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

Systemtic Name: (E)-1-(2-bromophenyl)-3-[(3-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2-bromophenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2-bromophenyl)-3-(3-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2-bromophenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2-bromophenyl)-3-(m-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17BrN2OS MolecularWeight: 425.34148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)