2-(3-chloranyl-4-sulfanyl-phenyl)-1-(4-ethanoylpiperazin-1-yl)but-3-en-1-one

Systemtic Name: 2-(3-chloranyl-4-sulfanyl-phenyl)-1-(4-ethanoylpiperazin-1-yl)but-3-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(3-chloro-4-sulfanyl-phenyl)but-3-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-(3-chloro-4-mercaptophenyl)-3-buten-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(3-chloro-4-sulfanylphenyl)but-3-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-(3-chloro-4-mercapto-phenyl)but-3-en-1-one Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(C=C)C2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(C=C)C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C16H19ClN2O2S/c1-3-13(12-4-5-15(22)14(17)10-12)16(21)19-8-6-18(7-9-19)11(2)20/h3-5,10,13,22H,1,6-9H2,2H3