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

Systemtic Name: 2-[[5-cyclopropyl-4-(oxan-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-cyclopropyl-4-tetrahydropyran-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(4-oxanyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(oxan-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(5-cyclopropyl-4-tetrahydropyran-4-yl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CCOCC3)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3CCOCC3)SCC(=O)O

InChI

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