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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c21-20(22)12-7-5-11(6-8-12)10-26-17-19-18-16(25-17)15-9-23-13-3-1-2-4-14(13)24-15/h1-8,15H,9-10H2