N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1C(=O)N(N=N1)C2=CC=CS2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N(N=N1)C2=CC=CS2

InChI

InChI=1S/C13H16N6O2S/c1-9(2)13(3,8-14)15-10(20)7-18-12(21)19(17-16-18)11-5-4-6-22-11/h4-6,9H,7H2,1-3H3,(H,15,20)/t13-/m0/s1