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

Systemtic Name: 2-[[4-(cyclobutylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(cyclobutylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(cyclobutylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(cyclobutylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(cyclobutylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2CCC2)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1CC2CCC2)SCC(=O)O

InChI

InChI=1S/C12H19N3O2S/c1-8(2)11-13-14-12(18-7-10(16)17)15(11)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,16,17)