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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(3-thienyl)-1,2,4-oxadiazole CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(3-thienyl)-1,2,4-oxadiazole Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NOC(=N3)C4=CSC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NOC(=N3)C4=CSC=C4)OC1

InChI

InChI=1S/C16H14N2O3S2/c1-5-19-13-3-2-12(8-14(13)20-6-1)23-10-15-17-16(21-18-15)11-4-7-22-9-11/h2-4,7-9H,1,5-6,10H2