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

Systemtic Name: 2-[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(3-chlorophenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(3-chlorophenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c1-14(21(27)24-10-8-23(9-11-24)15(2)26)16-6-7-20(19(12-16)25(28)29)30-18-5-3-4-17(22)13-18/h3-7,12-13H,1,8-11H2,2H3