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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

InChI

InChI=1S/C21H31N5O2S/c1-5-21(2,3)22-18(27)15-29-20-24-23-19(25-13-9-6-10-14-25)26(20)16-11-7-8-12-17(16)28-4/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H,22,27)