3,3-dimethyl-1-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-[5-(4-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]butan-2-one CAS Name: 3,3-dimethyl-1-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-[5-(4-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]butan-2-one Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=S)OC(=N1)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=S)OC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C13H15N3O2S/c1-13(2,3)10(17)8-16-12(19)18-11(15-16)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3