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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-3-methyl-phenyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-iodo-3-methylphenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-3-methylphenyl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-iodo-3-methyl-phenyl)acetamide Formula: C19H15IN4O2S MolecularWeight: 490.31747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)C3=CC4=CC=CC=C4O3)I

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)C3=CC4=CC=CC=C4O3)I

InChI

InChI=1S/C19H15IN4O2S/c1-11-8-13(6-7-14(11)20)21-17(25)10-27-19-22-18(23-24-19)16-9-12-4-2-3-5-15(12)26-16/h2-9H,10H2,1H3,(H,21,25)(H,22,23,24)