N-[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-6-oxopyridin-3-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[1-(2-chlorobenzyl)-6-keto-3-pyridyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=CC2=O)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=CC2=O)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16ClN3O4S/c21-18-4-2-1-3-14(18)11-23-12-15(5-10-20(23)26)22-19(25)13-29-17-8-6-16(7-9-17)24(27)28/h1-10,12H,11,13H2,(H,22,25)