5-[(3-aminocarbonyl-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(3-aminocarbonyl-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(3-carbamoyl-5-nitro-2-oxo-1-pyridyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(3-carbamoyl-5-nitro-2-oxo-1-pyridinyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(3-carbamoyl-5-nitro-2-oxopyridin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(3-carbamoyl-2-keto-5-nitro-1-pyridyl)methyl]-N-(4-fluorobenzyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H13FN6O5S MolecularWeight: 432.385723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NN=C(S2)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NN=C(S2)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C17H13FN6O5S/c18-10-3-1-9(2-4-10)6-20-15(26)16-22-21-13(30-16)8-23-7-11(24(28)29)5-12(14(19)25)17(23)27/h1-5,7H,6,8H2,(H2,19,25)(H,20,26)