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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)SC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)SC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-9(2)8-11(13(18)19)20-14-15-12(16-17-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,19)(H,15,16,17)