5-nitro-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyridin-2-olate

Systemtic Name: 5-nitro-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyridin-2-olate Openeye Name: 5-nitro-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyridin-2-olate CAS Name: 5-nitro-3-[oxo-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2-pyridinolate IUPAC Name: 5-nitro-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyridin-2-olate Traditional Name: 3-[(5-amyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-pyridin-2-olate Formula: C13H14N5O4S- MolecularWeight: 336.34636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CN=C2[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CN=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-2-3-4-5-10-16-17-13(23-10)15-12(20)9-6-8(18(21)22)7-14-11(9)19/h6-7H,2-5H2,1H3,(H,14,19)(H,15,17,20)/p-1