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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(3,4-dichlorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(3,4-dichlorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H16Cl3N2OS+ MolecularWeight: 450.78854

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)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl3N2OS/c1-13-15(22)6-5-7-18(13)25-21(28)19(26-10-3-2-4-11-26)20(27)14-8-9-16(23)17(24)12-14/h2-12H,1H3,(H-,25,27,28)/p+1