3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid

Systemtic Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Openeye Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid CAS Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]butanoic acid IUPAC Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Traditional Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]butyric acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=NN=CN1C

Isomeric SMILES

CC(CC(=O)O)SC1=NN=CN1C

InChI

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