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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N5O2S/c1-3-26-21(17-10-12-19(29-2)13-11-17)24-25-22(26)30-16-20(28)27(15-7-14-23)18-8-5-4-6-9-18/h4-6,8-13H,3,7,15-16H2,1-2H3