2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C17H26N6O2S MolecularWeight: 378.49234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1CCC(=O)N)C2CC2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1CCC(=O)N)C2CC2

InChI

InChI=1S/C17H26N6O2S/c1-10(2)17(4,9-18)20-15(25)11(3)26-16-22-21-14(12-5-6-12)23(16)8-7-13(19)24/h10-12H,5-8H2,1-4H3,(H2,19,24)(H,20,25)