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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCCOC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCCOC4=CC=CC=C4Cl

InChI

InChI=1S/C27H28ClN3OS/c1-27(2,3)22-15-13-21(14-16-22)25-29-30-26(31(25)19-20-9-5-4-6-10-20)33-18-17-32-24-12-8-7-11-23(24)28/h4-16H,17-19H2,1-3H3