2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H19Cl2N3O3S MolecularWeight: 440.34346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3O3S/c20-17-6-1-14(11-18(17)21)12-28-13-19(25)23-9-7-22(8-10-23)15-2-4-16(5-3-15)24(26)27/h1-6,11H,7-10,12-13H2