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

Systemtic Name: (E)-1-(4-ethanoylpiperazin-1-yl)-3-[4-(2-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(o-tolylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[4-[(2-methylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[3-nitro-4-(o-tolylthio)phenyl]prop-2-en-1-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-16-5-3-4-6-20(16)30-21-9-7-18(15-19(21)25(28)29)8-10-22(27)24-13-11-23(12-14-24)17(2)26/h3-10,15H,11-14H2,1-2H3/b10-8+