6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylate IUPAC Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]nicotinate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c19-13(20)9-3-6-11(15-7-9)21-14-17-16-12(8-1-2-8)18(14)10-4-5-10/h3,6-8,10H,1-2,4-5H2,(H,19,20)/p-1