3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenoxy)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenoxy)ethylthio]-4-phenyl-1,2,4-triazole Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-12-10-20(11-13-21)25-28-29-26(30(25)22-8-6-5-7-9-22)33-19-18-32-24-16-14-23(31-4)15-17-24/h5-17H,18-19H2,1-4H3