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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C#N)C(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C#N)C(C)C)C3=CN=CC=C3

InChI

InChI=1S/C22H24N6OS/c1-15(2)22(4,14-23)25-19(29)13-30-21-27-26-20(17-9-7-11-24-12-17)28(21)18-10-6-5-8-16(18)3/h5-12,15H,13H2,1-4H3,(H,25,29)