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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2S/c1-29-16-15-27-21(18-9-4-2-5-10-18)24-25-22(27)30-17-20(28)26(14-8-13-23)19-11-6-3-7-12-19/h2-7,9-12H,8,14-17H2,1H3