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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4,5-bis(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4,5-bis(p-tolyl)-1,2,4-triazole Formula: C24H22FN3OS MolecularWeight: 419.514383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C24H22FN3OS/c1-16-4-9-19(10-5-16)23-26-27-24(28(23)20-11-6-17(2)7-12-20)30-15-18-8-13-22(29-3)21(25)14-18/h4-14H,15H2,1-3H3