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

Systemtic Name: 1-(4-bromophenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-bromophenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-bromophenyl)-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-bromophenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-bromophenyl)-3-(p-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17BrN2OS MolecularWeight: 425.34148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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