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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4,5-diphenyl-1,2,4-triazole Formula: C22H18FN3OS MolecularWeight: 391.461223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H18FN3OS/c1-27-20-13-12-16(14-19(20)23)15-28-22-25-24-21(17-8-4-2-5-9-17)26(22)18-10-6-3-7-11-18/h2-14H,15H2,1H3