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

Systemtic Name: 2-[[5-cyclopropyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)O)C2CC2

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)O)C2CC2

InChI

InChI=1S/C11H17N3O3S/c1-17-6-2-5-14-10(8-3-4-8)12-13-11(14)18-7-9(15)16/h8H,2-7H2,1H3,(H,15,16)