ethyl 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H21N3O3S/c1-4-27-21(26)19-17(16-7-5-6-8-18(16)28-19)13-29-22-24-23-20(25(22)3)15-11-9-14(2)10-12-15/h5-12H,4,13H2,1-3H3