2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-2-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-2-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-isopropyl-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-propan-2-ylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-iodo-2-isopropyl-phenyl)acetamide Formula: C22H25IN4OS MolecularWeight: 520.42957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H25IN4OS/c1-4-27-20(12-16-8-6-5-7-9-16)25-26-22(27)29-14-21(28)24-19-11-10-17(23)13-18(19)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,24,28)