2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-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-thiophen-2-yl-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-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-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-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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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)C2=CC=CS2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1CCC(=O)N)C2=CC=CS2

InChI

InChI=1S/C18H24N6O2S2/c1-11(2)18(4,10-19)21-16(26)12(3)28-17-23-22-15(13-6-5-9-27-13)24(17)8-7-14(20)25/h5-6,9,11-12H,7-8H2,1-4H3,(H2,20,25)(H,21,26)