4-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-ethoxy-ethyl]-1,2,4-triazole

Systemtic Name: 4-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-ethoxy-ethyl]-1,2,4-triazole Openeye Name: 4-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-ethoxy-ethyl]-1,2,4-triazole CAS Name: 4-[1-(tert-butylthio)-2-(4-chlorophenyl)-2-ethoxyethyl]-1,2,4-triazole IUPAC Name: 4-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-ethoxyethyl]-1,2,4-triazole Traditional Name: 4-[1-(tert-butylthio)-2-(4-chlorophenyl)-2-ethoxy-ethyl]-1,2,4-triazole Formula: C16H22ClN3OS MolecularWeight: 339.88338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=C(C=C1)Cl)C(N2C=NN=C2)SC(C)(C)C

Isomeric SMILES

CCOC(C1=CC=C(C=C1)Cl)C(N2C=NN=C2)SC(C)(C)C

InChI

InChI=1S/C16H22ClN3OS/c1-5-21-14(12-6-8-13(17)9-7-12)15(22-16(2,3)4)20-10-18-19-11-20/h6-11,14-15H,5H2,1-4H3