2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylate

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylate Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylate CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-4-pyridinecarboxylate IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylate Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]isonicotinate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC4=NC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC4=NC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C14H14N4O2S/c19-13(20)9-5-6-15-11(7-9)21-14-17-16-12(8-1-2-8)18(14)10-3-4-10/h5-8,10H,1-4H2,(H,19,20)/p-1