1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(2-naphthylthio)ethanone Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H20ClN3O3S/c23-18-6-8-20(21(14-18)26(28)29)24-9-11-25(12-10-24)22(27)15-30-19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14H,9-12,15H2