N-(2-methylbutan-2-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methylbutan-2-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methylbutan-2-yl)-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylbutan-2-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-amyl-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCCC3

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCCC3

InChI

InChI=1S/C21H31N5OS/c1-5-21(3,4)22-18(27)15-28-20-24-23-19(25-13-7-6-8-14-25)26(20)17-11-9-16(2)10-12-17/h9-12H,5-8,13-15H2,1-4H3,(H,22,27)