1-(2-tert-butylphenoxy)-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: 1-(2-tert-butylphenoxy)-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: 1-(2-tert-butylphenoxy)-3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: 1-(2-tert-butylphenoxy)-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: 1-(2-tert-butylphenoxy)-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: 1-(2-tert-butylphenoxy)-3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CSC2=NNC(=N2)C3=CC=CS3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CSC2=NNC(=N2)C3=CC=CS3)O

InChI

InChI=1S/C19H23N3O2S2/c1-19(2,3)14-7-4-5-8-15(14)24-11-13(23)12-26-18-20-17(21-22-18)16-9-6-10-25-16/h4-10,13,23H,11-12H2,1-3H3,(H,20,21,22)