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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21IN4OS MolecularWeight: 492.37641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H21IN4OS/c1-13(2)15-4-7-17(8-5-15)25-12-22-24-20(25)27-11-19(26)23-18-9-6-16(21)10-14(18)3/h4-10,12-13H,11H2,1-3H3,(H,23,26)