3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(5-chloro-2-thienyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(5-chloro-2-thiophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(5-chlorothiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(5-chloro-2-thienyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C20H17Cl2N2OS2+ MolecularWeight: 436.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=C(C(=CC=C2)Cl)C)S)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=C(C(=CC=C2)Cl)C)S)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H16Cl2N2OS2/c1-12-5-4-10-24(11-12)18(19(25)16-8-9-17(22)27-16)20(26)23-15-7-3-6-14(21)13(15)2/h3-11H,1-2H3,(H-,23,25,26)/p+1