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

Systemtic Name: 2-[[5-cyclopropyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C12H17N3O3S/c16-10(17)7-19-12-14-13-11(8-3-4-8)15(12)6-9-2-1-5-18-9/h8-9H,1-7H2,(H,16,17)