2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-heptan-2-yl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-heptan-2-yl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-methylhexyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(2R)-heptan-2-yl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-heptan-2-yl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-methylhexyl]acetamide Formula: C14H25N5OS MolecularWeight: 311.4462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1N)C2CC2

Isomeric SMILES

CCCCC[C@@H](C)NC(=O)CSC1=NN=C(N1N)C2CC2

InChI

InChI=1S/C14H25N5OS/c1-3-4-5-6-10(2)16-12(20)9-21-14-18-17-13(19(14)15)11-7-8-11/h10-11H,3-9,15H2,1-2H3,(H,16,20)/t10-/m1/s1