5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid

Systemtic Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid CAS Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]pentanoic acid IUPAC Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]valeric acid Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCCCCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCCCCC(=O)O

InChI

InChI=1S/C13H19N3O2S/c17-11(18)3-1-2-8-19-13-15-14-12(9-4-5-9)16(13)10-6-7-10/h9-10H,1-8H2,(H,17,18)