7-oxidanylidene-5-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-oxidanylidene-5-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-oxo-5-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-oxo-5-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 7-oxo-5-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-5-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C13H13N7O2S MolecularWeight: 331.35302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=O)N3C(=N2)C(=CN3)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=O)N3C(=N2)C(=CN3)C#N

InChI

InChI=1S/C13H13N7O2S/c1-2-3-19-12(22)17-18-13(19)23-7-9-4-10(21)20-11(16-9)8(5-14)6-15-20/h4,6,15H,2-3,7H2,1H3,(H,17,22)