2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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