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

Systemtic Name: N-tert-butyl-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C21H31N5OS/c1-21(2,3)22-19(27)16-28-20-24-23-18(15-25-12-8-5-9-13-25)26(20)14-17-10-6-4-7-11-17/h4,6-7,10-11H,5,8-9,12-16H2,1-3H3,(H,22,27)