1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[[2-[(4-chlorophenyl)methyl]thiazol-4-yl]methyl]-5-nitro-2-oxo-pyridine-3-carboxamide CAS Name: 1-[[2-[(4-chlorophenyl)methyl]-4-thiazolyl]methyl]-5-nitro-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide Traditional Name: 1-[[2-(4-chlorobenzyl)thiazol-4-yl]methyl]-2-keto-5-nitro-nicotinamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=CS2)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=CS2)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O4S/c18-11-3-1-10(2-4-11)5-15-20-12(9-27-15)7-21-8-13(22(25)26)6-14(16(19)23)17(21)24/h1-4,6,8-9H,5,7H2,(H2,19,23)