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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodophenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-iodophenyl)acetamide Formula: C16H20IN5OS MolecularWeight: 457.33237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C16H20IN5OS/c17-12-8-4-5-9-13(12)19-14(23)10-24-16-21-20-15(22(16)18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,18H2,(H,19,23)