2-[[4-cyclohexyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide Formula: C25H29IN4O2S MolecularWeight: 576.49283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C25H29IN4O2S/c1-17(2)32-22-13-6-8-18(14-22)24-28-29-25(30(24)21-11-4-3-5-12-21)33-16-23(31)27-20-10-7-9-19(26)15-20/h6-10,13-15,17,21H,3-5,11-12,16H2,1-2H3,(H,27,31)