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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(C)(C#N)C(C)C)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(C)(C#N)C(C)C)N3CCCC3

InChI

InChI=1S/C21H28N6OS/c1-15(2)21(4,14-22)23-18(28)13-29-20-25-24-19(26-11-5-6-12-26)27(20)17-9-7-16(3)8-10-17/h7-10,15H,5-6,11-13H2,1-4H3,(H,23,28)