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

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-5-[(3-bromo-4-methoxy-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C24H18BrN3O2S MolecularWeight: 492.38762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4)Br

InChI

InChI=1S/C24H18BrN3O2S/c1-29-21-12-11-16(13-19(21)25)15-31-24-27-26-23(28(24)18-8-3-2-4-9-18)22-14-17-7-5-6-10-20(17)30-22/h2-14H,15H2,1H3