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

Systemtic Name: ethyl 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C28H24BrN3O3S MolecularWeight: 562.47746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H24BrN3O3S/c1-2-34-27(33)25-23(22-10-6-7-11-24(22)35-25)18-36-28-31-30-26(20-12-14-21(29)15-13-20)32(28)17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3