2-methylsulfanyl-8-nitro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

Systemtic Name: 2-methylsulfanyl-8-nitro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine Openeye Name: 2-methylsulfanyl-8-nitro-N-(3-pyridylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine CAS Name: 2-(methylthio)-8-nitro-N-(3-pyridinylmethyl)-4-pyrazolo[1,5-a][1,3,5]triazinamine IUPAC Name: 2-methylsulfanyl-8-nitro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine Traditional Name: [2-(methylthio)-8-nitro-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-(3-pyridylmethyl)amine Formula: C12H11N7O2S MolecularWeight: 317.32644

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C(=N1)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(C=NN2C(=N1)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N7O2S/c1-22-12-16-10-9(19(20)21)7-15-18(10)11(17-12)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H,14,16,17)