3-[3-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[3-(2-tert-butylphenoxy)-2-hydroxypropyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)O

InChI

InChI=1S/C22H28N4O3S2/c1-22(2,3)16-7-4-5-8-17(16)29-13-15(27)14-31-21-25-24-20(18-9-6-12-30-18)26(21)11-10-19(23)28/h4-9,12,15,27H,10-11,13-14H2,1-3H3,(H2,23,28)