4-butyl-3-(4-methoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-butyl-3-(4-methoxyphenyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C23H25N5OS MolecularWeight: 419.5425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N5OS/c1-3-4-15-27-22(19-8-12-21(29-2)13-9-19)25-26-23(27)30-17-18-6-10-20(11-7-18)28-16-5-14-24-28/h5-14,16H,3-4,15,17H2,1-2H3