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

Systemtic Name: 5-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[(5-nitro-2-oxo-1-pyridyl)methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(5-nitro-2-oxo-1-pyridinyl)methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(5-nitro-2-oxopyridin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[(2-keto-5-nitro-1-pyridyl)methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c22-14-7-6-12(21(24)25)9-20(14)10-13-18-19-16(26-13)15(23)17-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,23)