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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C16H11N3O5S MolecularWeight: 357.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c20-19(21)12-4-1-10(2-5-12)8-25-16-18-17-15(24-16)11-3-6-13-14(7-11)23-9-22-13/h1-7H,8-9H2