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

Systemtic Name: N-tert-butyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C20H29N5OS/c1-20(2,3)21-18(26)15-27-19-23-22-17(14-24-12-8-5-9-13-24)25(19)16-10-6-4-7-11-16/h4,6-7,10-11H,5,8-9,12-15H2,1-3H3,(H,21,26)