1-[2,5-bis(chloranyl)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(2,5-dichlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(2,5-dichlorophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(2,5-dichlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(2,5-dichlorophenyl)-3-mercapto-2-(3-methylpyridin-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=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

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

InChI

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