2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H15N3O5S/c22-21(23)13-4-2-12(3-5-13)18-20-19-17(26-18)11-27-14-6-7-15-16(10-14)25-9-1-8-24-15/h2-7,10H,1,8-9,11H2