2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide Formula: C24H29IN4O2S MolecularWeight: 564.48213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CCCOC)SCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CCCOC)SCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C24H29IN4O2S/c1-24(2,3)18-11-9-17(10-12-18)22-27-28-23(29(22)13-6-14-31-4)32-16-21(30)26-20-8-5-7-19(25)15-20/h5,7-12,15H,6,13-14,16H2,1-4H3,(H,26,30)