(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N2O3S2/c22-18(14-6-8-15(9-7-14)19-25-10-11-26-19)23-12-16-20-17(21-24-16)13-4-2-1-3-5-13/h1-9,19H,10-12H2