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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole Openeye Name: 3-(4-benzyloxyphenyl)-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(4-benzoxyphenyl)-5-[(3-bromo-4-methoxy-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C29H24BrN3O2S MolecularWeight: 558.48876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)Br

InChI

InChI=1S/C29H24BrN3O2S/c1-34-27-17-12-22(18-26(27)30)20-36-29-32-31-28(33(29)24-10-6-3-7-11-24)23-13-15-25(16-14-23)35-19-21-8-4-2-5-9-21/h2-18H,19-20H2,1H3