3-(4-tert-butylphenyl)-5-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[2-(2-chlorophenoxy)ethylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[2-(2-chlorophenoxy)ethylthio]-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[2-(2-chlorophenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[2-(2-chlorophenoxy)ethylthio]-4-(o-tolyl)-1,2,4-triazole Formula: C27H28ClN3OS MolecularWeight: 478.04872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H28ClN3OS/c1-19-9-5-7-11-23(19)31-25(20-13-15-21(16-14-20)27(2,3)4)29-30-26(31)33-18-17-32-24-12-8-6-10-22(24)28/h5-16H,17-18H2,1-4H3