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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(3-fluoro-4-methoxy-benzyl)thio]-4-methyl-1,2,4-triazole Formula: C18H18FN3OS MolecularWeight: 343.418423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H18FN3OS/c1-22-17(11-13-6-4-3-5-7-13)20-21-18(22)24-12-14-8-9-16(23-2)15(19)10-14/h3-10H,11-12H2,1-2H3