2-[3-chloranyl-4-(2,4-dichlorophenyl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[3-chloranyl-4-(2,4-dichlorophenyl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-(2,4-dichlorophenyl)sulfanyl-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-chloro-4-[(2,4-dichlorophenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-(2,4-dichlorophenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-chloro-4-[(2,4-dichlorophenyl)thio]phenyl]prop-2-en-1-one Formula: C21H19Cl3N2O2S MolecularWeight: 469.81176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C21H19Cl3N2O2S/c1-13(21(28)26-9-7-25(8-10-26)14(2)27)15-3-5-19(17(23)11-15)29-20-6-4-16(22)12-18(20)24/h3-6,11-12H,1,7-10H2,2H3