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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2S/c1-16(2)22(3,15-23)24-19(29)14-31-21-26-25-20(27-12-8-5-9-13-27)28(21)17-10-6-7-11-18(17)30-4/h6-7,10-11,16H,5,8-9,12-14H2,1-4H3,(H,24,29)