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

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H19N5OS2 MolecularWeight: 361.48496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NNC(=N1)C=CC2=CC=CS2

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)CSC1=NNC(=N1)/C=C/C2=CC=CS2

InChI

InChI=1S/C16H19N5OS2/c1-11(2)16(3,10-17)19-14(22)9-24-15-18-13(20-21-15)7-6-12-5-4-8-23-12/h4-8,11H,9H2,1-3H3,(H,19,22)(H,18,20,21)/b7-6+/t16-/m1/s1