2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N4O2S/c1-5-12-23-19(27)15-29-21-25-24-20(26(21)14-18-7-6-13-28-18)16-8-10-17(11-9-16)22(2,3)4/h6-11,13H,5,12,14-15H2,1-4H3,(H,23,27)