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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-bromophenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(4-bromophenyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-bromophenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-bromophenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-bromophenyl)-1,2,4-triazole Formula: C23H19Br2N3OS MolecularWeight: 545.28946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19Br2N3OS/c1-29-21-12-7-17(13-20(21)25)15-30-23-27-26-22(18-8-10-19(24)11-9-18)28(23)14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3