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

Systemtic Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoate Openeye Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoate CAS Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]pentanoate IUPAC Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoate Traditional Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]valerate Formula: C13H18N3O2S- MolecularWeight: 280.36592

Click to see the large picture

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)/p-1