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

Systemtic Name: ethyl 5-bromanyl-3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3C)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3C)C4=CC=CO4

InChI

InChI=1S/C19H16BrN3O4S/c1-3-25-18(24)16-13(12-9-11(20)6-7-14(12)27-16)10-28-19-22-21-17(23(19)2)15-5-4-8-26-15/h4-9H,3,10H2,1-2H3