1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[(2,5-dimethylphenyl)thio]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[(2,5-dimethylphenyl)thio]ethanone Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3S/c1-14-3-4-15(2)19(11-14)28-13-20(25)23-9-7-22(8-10-23)17-6-5-16(21)12-18(17)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3