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

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(C)(C#N)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N[C@](C)(C#N)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-3-23-16(13-7-5-4-6-8-13)21-22-17(23)25-11-15(24)20-18(2,12-19)14-9-10-14/h4-8,14H,3,9-11H2,1-2H3,(H,20,24)/t18-/m1/s1