N-(4-iodanyl-2,6-dimethyl-phenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2,6-dimethyl-phenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2,6-dimethyl-phenyl)acetamide CAS Name: N-(4-iodo-2,6-dimethylphenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2,6-dimethylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-iodo-2,6-dimethyl-phenyl)acetamide Formula: C20H21IN4OS MolecularWeight: 492.37641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3)C)I

InChI

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