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

Systemtic Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)O

InChI

InChI=1S/C7H11N3O2S/c1-5(2)10-4-8-9-7(10)13-3-6(11)12/h4-5H,3H2,1-2H3,(H,11,12)