N-tert-butyl-2-[[4-(oxolan-2-ylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-(oxolan-2-ylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-benzyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[4-(2-oxolanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-benzyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5-benzyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1CC2CCCO2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1CC2CCCO2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-20(2,3)21-18(25)14-27-19-23-22-17(12-15-8-5-4-6-9-15)24(19)13-16-10-7-11-26-16/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,21,25)