1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C19H17N3O3S2/c1-12(17-21-16(22-25-17)15-3-2-8-20-11-15)24-18(23)13-4-6-14(7-5-13)19-26-9-10-27-19/h2-8,11-12,19H,9-10H2,1H3