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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dichlorophenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-mercapto-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dichlorophenyl)-3-mercapto-3-(p-toluidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H17Cl2N2OS+ MolecularWeight: 416.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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