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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21N5O2S/c1-11(2)17(3,10-18)20-14(23)9-25-16-19-15(21-22-16)12-5-7-13(24-4)8-6-12/h5-8,11H,9H2,1-4H3,(H,20,23)(H,19,21,22)