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

Systemtic Name: 2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(2,4-dichlorophenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(2,4-dichlorophenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C21H19Cl2N3O4S MolecularWeight: 480.36426

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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)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19Cl2N3O4S/c1-13(21(28)25-9-7-24(8-10-25)14(2)27)15-3-5-20(18(11-15)26(29)30)31-19-6-4-16(22)12-17(19)23/h3-6,11-12H,1,7-10H2,2H3