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

Systemtic Name: 1-(2-chlorophenyl)-3-[(3-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-chlorophenyl)-3-(3-ethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-chlorophenyl)-3-(3-ethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-chlorophenyl)-3-(3-ethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-chlorophenyl)-3-(3-ethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H20ClN2OS+ MolecularWeight: 395.925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C22H19ClN2OS/c1-2-16-9-8-10-17(15-16)24-22(27)20(25-13-6-3-7-14-25)21(26)18-11-4-5-12-19(18)23/h3-15H,2H2,1H3,(H-,24,26,27)/p+1