3-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-fluorophenyl)methylthio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-fluorobenzyl)thio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Formula: C24H22FN3OS MolecularWeight: 419.514383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3OS/c1-2-16-29-22-14-10-19(11-15-22)23-26-27-24(28(23)21-6-4-3-5-7-21)30-17-18-8-12-20(25)13-9-18/h3-15H,2,16-17H2,1H3