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

Systemtic Name: 2-[[4-(1-methoxypropan-2-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-methoxy-1-methyl-ethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-methoxypropan-2-yl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-methoxypropan-2-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-methoxy-1-methyl-ethyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H15N3O3S MolecularWeight: 245.2987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)COC)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C(C)COC)SCC(=O)O

InChI

InChI=1S/C9H15N3O3S/c1-6(4-15-3)12-7(2)10-11-9(12)16-5-8(13)14/h6H,4-5H2,1-3H3,(H,13,14)