3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-chlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-chlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(4-chlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(4-chlorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(4-chlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(4-chlorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H17Cl2N2OS+ MolecularWeight: 416.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C21H16Cl2N2OS/c1-14-17(23)6-5-7-18(14)24-21(27)19(25-12-3-2-4-13-25)20(26)15-8-10-16(22)11-9-15/h2-13H,1H3,(H-,24,26,27)/p+1