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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[4-(2-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[3-nitro-4-(o-tolylsulfanyl)phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(2-methylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[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(=C)C(=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/c1-15-6-4-5-7-20(15)30-21-9-8-18(14-19(21)25(28)29)16(2)22(27)24-12-10-23(11-13-24)17(3)26/h4-9,14H,2,10-13H2,1,3H3