N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C12H17N5OS MolecularWeight: 279.36128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C12H17N5OS/c1-8-15-16-11(17(8)3)19-6-10(18)14-12(2,7-13)9-4-5-9/h9H,4-6H2,1-3H3,(H,14,18)/t12-/m1/s1