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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethoxyphenyl)-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethoxyphenyl)-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-phenyl-1,2,4-triazole Formula: C24H22FN3O3S MolecularWeight: 451.513183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O3S/c1-29-20-11-9-16(13-19(20)25)15-32-24-27-26-23(17-7-5-4-6-8-17)28(24)18-10-12-21(30-2)22(14-18)31-3/h4-14H,15H2,1-3H3