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

Systemtic Name: (2-azanyl-3-nitro-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl ester IUPAC Name: (2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (2-amino-7-keto-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl ester Formula: C12H16N6O3S2 MolecularWeight: 356.42384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=CC(=O)N2C(=N1)C(=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SCC1=CC(=O)N2C(=N1)C(=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O3S2/c1-3-16(4-2)12(22)23-6-7-5-8(19)17-11(14-7)9(18(20)21)10(13)15-17/h5,15H,3-4,6,13H2,1-2H3