N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C24H27N5O2S MolecularWeight: 449.56848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)C4=CC=CO4

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C24H27N5O2S/c1-18(23(30)28(16-9-15-25)19-10-4-2-5-11-19)32-24-27-26-22(21-14-8-17-31-21)29(24)20-12-6-3-7-13-20/h2,4-5,8,10-11,14,17-18,20H,3,6-7,9,12-13,16H2,1H3