2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(oxolan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(oxolan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-N-(3-tetrahydrofuran-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-N-[3-(2-oxolanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(oxolan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-N-[3-(tetrahydrofuryl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NN3C(=NNC3=S)C4CCCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NN3C(=NNC3=S)C4CCCO4)C

InChI

InChI=1S/C18H20N4O3S/c1-10-5-6-13-12(9-25-16(13)11(10)2)8-15(23)21-22-17(19-20-18(22)26)14-4-3-7-24-14/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,20,26)(H,21,23)