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

Systemtic Name: 3-[(3-chlorophenyl)amino]-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(3-chloroanilino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-chloroanilino)-1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(3-chloroanilino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(3-chloroanilino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17ClN2OS MolecularWeight: 380.89048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(C(=S)NC2=CC(=CC=C2)Cl)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=C(C(=S)NC2=CC(=CC=C2)Cl)[N+]3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H17ClN2OS/c1-15-8-10-16(11-9-15)20(25)19(24-12-3-2-4-13-24)21(26)23-18-7-5-6-17(22)14-18/h2-14H,1H3,(H-,23,25,26)