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

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C18H23N5O2S/c1-13(2)18(3,12-19)20-15(24)11-26-17-22-21-16(25)23(17)10-9-14-7-5-4-6-8-14/h4-8,13H,9-11H2,1-3H3,(H,20,24)(H,21,25)/t18-/m1/s1