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

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

C1CC(C1)CN2C(=NN=C2SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CC(C1)CN2C(=NN=C2SCC(=O)O)C3=CC=CC=C3

InChI

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