2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-ethyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C22H22N4O2S/c1-3-26-21(20-15(2)17-11-7-8-12-18(17)28-20)24-25-22(26)29-14-19(27)23-13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,23,27)