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

Systemtic Name: (E)-3-[4-(2-bromophenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-bromophenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[4-[(2-bromophenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-bromophenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[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=CC2=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/c1-15(26)23-10-12-24(13-11-23)21(27)9-7-16-6-8-20(18(14-16)25(28)29)30-19-5-3-2-4-17(19)22/h2-9,14H,10-13H2,1H3/b9-7+