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

Systemtic Name: ethyl 5-bromanyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O3S/c1-3-27-20(26)18-16(15-11-14(22)9-10-17(15)28-18)12-29-21-24-23-19(25(21)2)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3