2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C23H25IN4OS MolecularWeight: 532.44027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C23H25IN4OS/c1-16-14-18(24)12-13-20(16)25-21(29)15-30-23-27-26-22(17-8-4-2-5-9-17)28(23)19-10-6-3-7-11-19/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,25,29)