2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chloranylphenoxy)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chloranylphenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O2S/c1-20(2,3)15-6-4-14(5-7-15)13-26-19-23-22-18(25-19)12-24-17-10-8-16(21)9-11-17/h4-11H,12-13H2,1-3H3