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

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H18N6OS MolecularWeight: 330.40802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C15H18N6OS/c1-10(2)15(3,9-16)19-12(22)8-23-14-18-13(20-21-14)11-4-6-17-7-5-11/h4-7,10H,8H2,1-3H3,(H,19,22)(H,18,20,21)/t15-/m0/s1