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

Systemtic Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC(CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-18(27-2)13-24-19(15-9-5-3-6-10-15)22-23-20(24)28-14-17(25)21-16-11-7-4-8-12-16/h3-12,18H,13-14H2,1-2H3,(H,21,25)