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

Systemtic Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid CAS Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentanoic acid IUPAC Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]valeric acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-11-15-16-14(20-10-6-5-9-13(18)19)17(11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,19)