4-(2-fluorophenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-(2-fluorophenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-(2-fluorophenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-(2-fluorophenyl)-3-(propylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-(2-fluorophenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-(2-fluorophenyl)-3-(propylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C20H22FN3O3S MolecularWeight: 403.470383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC=C2F)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC=C2F)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H22FN3O3S/c1-5-10-28-20-23-22-19(24(20)15-9-7-6-8-14(15)21)13-11-16(25-2)18(27-4)17(12-13)26-3/h6-9,11-12H,5,10H2,1-4H3