N-(3-bromophenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[[5-(7-methoxy-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C20H17BrN4O3S/c1-25-19(16-9-12-5-3-8-15(27-2)18(12)28-16)23-24-20(25)29-11-17(26)22-14-7-4-6-13(21)10-14/h3-10H,11H2,1-2H3,(H,22,26)