3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H20BrN3O2S/c1-28-20-13-12-19(14-21(20)29-2)27-22(17-6-4-3-5-7-17)25-26-23(27)30-15-16-8-10-18(24)11-9-16/h3-14H,15H2,1-2H3