N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-2-(2-keto-5-nitro-1-pyridyl)acetamide Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSCCNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O4S/c17-13-3-1-12(2-4-13)11-25-8-7-18-15(21)10-19-9-14(20(23)24)5-6-16(19)22/h1-6,9H,7-8,10-11H2,(H,18,21)