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

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NN=C(N1C)CC2=CC=CC=C2

InChI

InChI=1S/C18H23N5OS/c1-13(2)18(3,12-19)20-16(24)11-25-17-22-21-15(23(17)4)10-14-8-6-5-7-9-14/h5-9,13H,10-11H2,1-4H3,(H,20,24)/t18-/m0/s1