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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-phenyl-5-veratryl-1,2,4-triazole Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C24H22BrN3O2S/c1-29-21-13-10-18(14-22(21)30-2)15-23-26-27-24(28(23)20-6-4-3-5-7-20)31-16-17-8-11-19(25)12-9-17/h3-14H,15-16H2,1-2H3