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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N5O2S/c1-13(2)20(5,12-21)22-17(26)11-28-19-24-23-18(25(19)14(3)4)15-7-9-16(27-6)10-8-15/h7-10,13-14H,11H2,1-6H3,(H,22,26)