(3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl ester IUPAC Name: (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (3-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl ester Formula: C13H15N5OS2 MolecularWeight: 321.4211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5OS2/c1-3-17(4-2)13(20)21-8-10-5-11(19)18-12(16-10)9(6-14)7-15-18/h5,7,15H,3-4,8H2,1-2H3