4-(4-fluorophenyl)-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-fluorophenyl)-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(4-fluorophenyl)-3-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole Formula: C21H16FN3S MolecularWeight: 361.435243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3S/c22-18-11-13-19(14-12-18)25-20(17-9-5-2-6-10-17)23-24-21(25)26-15-16-7-3-1-4-8-16/h1-14H,15H2