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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(furan-2-yl)-1,2,4-oxadiazole Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(2-furyl)-1,2,4-oxadiazole CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(2-furanyl)-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(furan-2-yl)-1,2,4-oxadiazole Traditional Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(2-furyl)-1,2,4-oxadiazole Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NOC(=N3)C4=CC=CO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NOC(=N3)C4=CC=CO4)OC1

InChI

InChI=1S/C16H14N2O4S/c1-3-13(20-6-1)16-17-15(18-22-16)10-23-11-4-5-12-14(9-11)21-8-2-7-19-12/h1,3-6,9H,2,7-8,10H2