2-(4-butoxyphenyl)-5-(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole

Systemtic Name: 2-(4-butoxyphenyl)-5-(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole Openeye Name: 2-(4-butoxyphenyl)-5-(3-chloro-6-methyl-benzothiophen-2-yl)-1,3,4-oxadiazole CAS Name: 2-(4-butoxyphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole IUPAC Name: 2-(4-butoxyphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole Traditional Name: 2-(4-butoxyphenyl)-5-(3-chloro-6-methyl-benzothiophen-2-yl)-1,3,4-oxadiazole Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=C(C4=C(S3)C=C(C=C4)C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=C(C4=C(S3)C=C(C=C4)C)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-3-4-11-25-15-8-6-14(7-9-15)20-23-24-21(26-20)19-18(22)16-10-5-13(2)12-17(16)27-19/h5-10,12H,3-4,11H2,1-2H3