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

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-22(15-23,17-12-13-17)25-19(28)14-29-21-24-20(16-8-4-2-5-9-16)27(26-21)18-10-6-3-7-11-18/h3,6-7,10-11,16-17H,2,4-5,8-9,12-14H2,1H3,(H,25,28)/t22-/m0/s1