2-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazole CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazole Formula: C21H19ClN2OS2 MolecularWeight: 414.97136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN2OS2/c1-21(2,3)14-10-8-13(9-11-14)12-26-20-24-23-19(25-20)18-17(22)15-6-4-5-7-16(15)27-18/h4-11H,12H2,1-3H3