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

Systemtic Name: 2-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]hexanoic acid CAS Name: 2-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]hexanoic acid IUPAC Name: 2-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]hexanoic acid Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C24H29N3O3S/c1-3-5-12-21(23(28)29)31-24-26-25-22(27(24)19-10-8-7-9-11-19)18-13-15-20(16-14-18)30-17-6-4-2/h7-11,13-16,21H,3-6,12,17H2,1-2H3,(H,28,29)