1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(o-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[(2-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[(2-methylbenzyl)thio]ethanone Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3S/c1-15-4-2-3-5-16(15)13-28-14-20(25)23-10-8-22(9-11-23)18-7-6-17(21)12-19(18)24(26)27/h2-7,12H,8-11,13-14H2,1H3