2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: N-(4-iodophenyl)-2-[(4-isobutyl-5-veratryl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H27IN4O3S MolecularWeight: 566.45495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27IN4O3S/c1-15(2)13-28-21(12-16-5-10-19(30-3)20(11-16)31-4)26-27-23(28)32-14-22(29)25-18-8-6-17(24)7-9-18/h5-11,15H,12-14H2,1-4H3,(H,25,29)