propan-2-yl 4-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-4-cyano-butanoate

Systemtic Name: propan-2-yl 4-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-4-cyano-butanoate Openeye Name: isopropyl 4-cyano-4-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]-4-cyanobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-4-cyanobutanoate Traditional Name: 4-cyano-4-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]butyric acid isopropyl ester Formula: C17H27N5O3S MolecularWeight: 381.49298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SC(CCC(=O)OC(C)C)C#N)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SC(CCC(=O)OC(C)C)C#N)C(=O)N(C)C

InChI

InChI=1S/C17H27N5O3S/c1-7-12(4)15-19-16(22(20-15)17(24)21(5)6)26-13(10-18)8-9-14(23)25-11(2)3/h11-13H,7-9H2,1-6H3