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

Systemtic Name: ethyl 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C24H19N3O4S/c1-2-29-23(28)21-18(17-11-6-7-12-19(17)31-21)15-32-24-26-25-22(20-13-8-14-30-20)27(24)16-9-4-3-5-10-16/h3-14H,2,15H2,1H3