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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4CC4

InChI

InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)20-24-25-21(26(20)13-18-5-4-12-28-18)29-14-19(27)23-17-10-11-17/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,23,27)