2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(3-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(3-nitrophenyl)-1,3,4-oxadiazole Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O5S/c18-13-4-11-7-24-9-25-15(11)12(5-13)8-27-17-20-19-16(26-17)10-2-1-3-14(6-10)21(22)23/h1-6H,7-9H2