2-[[4-(cyclobutylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(cyclobutylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(cyclobutylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(cyclobutylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(cyclobutylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(cyclobutylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H17N3O2S MolecularWeight: 267.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

C1CC(C1)CN2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C12H17N3O2S/c16-10(17)7-18-12-14-13-11(9-4-5-9)15(12)6-8-2-1-3-8/h8-9H,1-7H2,(H,16,17)