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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C20H21N5O2S/c1-3-24-18(17-11-7-14-27-17)22-23-20(24)28-15(2)19(26)25(13-8-12-21)16-9-5-4-6-10-16/h4-7,9-11,14-15H,3,8,13H2,1-2H3