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

Systemtic Name: ethyl 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC(=CC=C4)C

InChI

InChI=1S/C24H25N3O3S/c1-4-13-27-22(17-10-8-9-16(3)14-17)25-26-24(27)31-15-19-18-11-6-7-12-20(18)30-21(19)23(28)29-5-2/h6-12,14H,4-5,13,15H2,1-3H3