O-propan-2-yl (3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanylmethanethioate

Systemtic Name: O-propan-2-yl (3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanylmethanethioate Openeye Name: O-isopropyl (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanylmethanethioate CAS Name: [(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylthio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanylmethanethioate Traditional Name: [(3-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylthio]methanethioic acid O-isopropyl ester Formula: C12H12N4O2S2 MolecularWeight: 308.37928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC1=CC(=O)N2C(=N1)C(=CN2)C#N

Isomeric SMILES

CC(C)OC(=S)SCC1=CC(=O)N2C(=N1)C(=CN2)C#N

InChI

InChI=1S/C12H12N4O2S2/c1-7(2)18-12(19)20-6-9-3-10(17)16-11(15-9)8(4-13)5-14-16/h3,5,7,14H,6H2,1-2H3