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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodophenyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodophenyl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-iodophenyl)acetamide Formula: C17H21IN4OS MolecularWeight: 456.34431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C17H21IN4OS/c1-12-20-21-17(22(12)13-7-3-2-4-8-13)24-11-16(23)19-15-10-6-5-9-14(15)18/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,23)