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

Systemtic Name: (E)-3-[4-(2,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[4-[(2,4-dimethylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2,4-dimethylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[4-[(2,4-dimethylphenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N3O4S/c1-16-4-7-21(17(2)14-16)31-22-8-5-19(15-20(22)26(29)30)6-9-23(28)25-12-10-24(11-13-25)18(3)27/h4-9,14-15H,10-13H2,1-3H3/b9-6+