2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(3-chlorophenyl)methylthio]-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(3-chlorobenzyl)thio]-1-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3S/c19-15-3-1-2-14(10-15)12-27-13-18(24)22-8-6-21(7-9-22)16-4-5-17(20-11-16)23(25)26/h1-5,10-11H,6-9,12-13H2