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

Systemtic Name: 2-[4-(2-bromophenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2-bromophenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(2-bromophenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2-bromophenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(2-bromophenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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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=C3Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C21H20BrN3O4S/c1-14(21(27)24-11-9-23(10-12-24)15(2)26)16-7-8-20(18(13-16)25(28)29)30-19-6-4-3-5-17(19)22/h3-8,13H,1,9-12H2,2H3