N-[3-ethanoyl-2-methyl-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1-benzofuran-5-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-ethanoyl-2-methyl-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1-benzofuran-5-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-acetyl-2-methyl-7-(1H-1,2,4-triazol-5-ylsulfanyl)benzofuran-5-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-acetyl-2-methyl-7-(1H-1,2,4-triazol-5-ylthio)-5-benzofuranyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-acetyl-2-methyl-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1-benzofuran-5-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-acetyl-2-methyl-7-(1H-1,2,4-triazol-5-ylthio)benzofuran-5-yl]-4-methyl-benzenesulfonamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C3C(=C2)C(=C(O3)C)C(=O)C)SC4=NC=NN4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C3C(=C2)C(=C(O3)C)C(=O)C)SC4=NC=NN4

InChI

InChI=1S/C20H18N4O4S2/c1-11-4-6-15(7-5-11)30(26,27)24-14-8-16-18(12(2)25)13(3)28-19(16)17(9-14)29-20-21-10-22-23-20/h4-10,24H,1-3H3,(H,21,22,23)