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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-iodophenyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-iodophenyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-iodophenyl)acetamide Formula: C18H16IN5O2S MolecularWeight: 493.32141

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C18H16IN5O2S/c1-12(25)21-13-5-4-6-14(9-13)24-11-20-23-18(24)27-10-17(26)22-16-8-3-2-7-15(16)19/h2-9,11H,10H2,1H3,(H,21,25)(H,22,26)