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

Systemtic Name: 2-[(4-cyclopentyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-cyclopentyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-cyclopentyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cyclopentyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-cyclopentyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C15H17N3O2S/c19-13(20)10-21-15-17-16-14(11-6-2-1-3-7-11)18(15)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H,19,20)