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

Systemtic Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Openeye Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid CAS Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butanoic acid IUPAC Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Traditional Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butyric acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-10-14-15-13(19-9-5-8-12(17)18)16(10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,17,18)