2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-methoxy-2-oxo-ethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-methoxy-2-oxoethyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-methoxy-2-oxoethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-keto-2-methoxy-ethyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H15N3O4S MolecularWeight: 273.3088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)OC)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)OC)SCC(=O)O

InChI

InChI=1S/C10H15N3O4S/c1-3-4-7-11-12-10(18-6-8(14)15)13(7)5-9(16)17-2/h3-6H2,1-2H3,(H,14,15)