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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-phenyl-1,3,4-oxadiazole Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NN=C(O3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NN=C(O3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C18H16N2O3S/c1-2-5-13(6-3-1)18-20-19-17(23-18)12-24-14-7-8-15-16(11-14)22-10-4-9-21-15/h1-3,5-8,11H,4,9-10,12H2