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

Systemtic Name: 2-(3-chloranyl-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3-chlorobenzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3-chlorobenzothiophen-2-yl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C17H10ClN3O3S2 MolecularWeight: 403.8626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10ClN3O3S2/c18-14-12-3-1-2-4-13(12)26-15(14)16-19-20-17(24-16)25-9-10-5-7-11(8-6-10)21(22)23/h1-8H,9H2