3-(4-butoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-butoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-butoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-5-[(4-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-butoxyphenyl)-5-(p-anisylthio)-4-phenyl-1,2,4-triazole Formula: C26H27N3O2S MolecularWeight: 445.57648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O2S/c1-3-4-18-31-24-16-12-21(13-17-24)25-27-28-26(29(25)22-8-6-5-7-9-22)32-19-20-10-14-23(30-2)15-11-20/h5-17H,3-4,18-19H2,1-2H3