2-(1-adamantylmethylsulfanyl)-5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole

Systemtic Name: 2-(1-adamantylmethylsulfanyl)-5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole Openeye Name: 2-(1-adamantylmethylsulfanyl)-5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazole CAS Name: 2-(1-adamantylmethylthio)-5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantylmethylsulfanyl)-5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole Traditional Name: 2-(1-adamantylmethylthio)-5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazole Formula: C21H21ClN2OS2 MolecularWeight: 416.98724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CSC4=NN=C(O4)C5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CSC4=NN=C(O4)C5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C21H21ClN2OS2/c22-17-15-3-1-2-4-16(15)27-18(17)19-23-24-20(25-19)26-11-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2