N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(coumaran-2-ylmethyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3CC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O3S/c1-26-15-8-6-13(7-9-15)19-22-23-20(28)24(19)12-18(25)21-11-16-10-14-4-2-3-5-17(14)27-16/h2-9,16H,10-12H2,1H3,(H,21,25)(H,23,28)