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

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

CN1C=NN=C1SCCCC(=O)O

Isomeric SMILES

CN1C=NN=C1SCCCC(=O)O

InChI

InChI=1S/C7H11N3O2S/c1-10-5-8-9-7(10)13-4-2-3-6(11)12/h5H,2-4H2,1H3,(H,11,12)