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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazole CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazole Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CSC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CSC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H19N3O4S/c1-14-20(21(25-29-14)15-6-3-2-4-7-15)22-24-23-19(28-22)13-30-16-8-9-17-18(12-16)27-11-5-10-26-17/h2-4,6-9,12H,5,10-11,13H2,1H3