2-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(2-furyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)C4=CC=CO4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)C4=CC=CO4)C

InChI

InChI=1S/C25H26N4O3S/c1-4-18-9-6-8-17(3)23(18)26-22(30)16-33-25-28-27-24(21-10-7-15-32-21)29(25)19-11-13-20(14-12-19)31-5-2/h6-15H,4-5,16H2,1-3H3,(H,26,30)