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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butyric acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NN=C(N1CCOC)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)O)SC1=NN=C(N1CCOC)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O3S/c1-3-12(14(19)20)22-15-17-16-13(18(15)9-10-21-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,19,20)