3-(1-benzofuran-2-yl)-5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-benzyl-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(3-bromo-4-methoxyphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-4-benzyl-5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-benzyl-5-[(3-bromo-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C25H20BrN3O2S MolecularWeight: 506.4142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4)Br

InChI

InChI=1S/C25H20BrN3O2S/c1-30-22-12-11-18(13-20(22)26)16-32-25-28-27-24(29(25)15-17-7-3-2-4-8-17)23-14-19-9-5-6-10-21(19)31-23/h2-14H,15-16H2,1H3