N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-nitro-benzamide

Systemtic Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-nitro-benzamide Openeye Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-nitro-benzamide CAS Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-4-nitrobenzamide IUPAC Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-nitrobenzamide Traditional Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-4-nitro-benzamide Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=C1C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3S/c1-21-12-9(6-13)10(15-16-12)14-11(18)7-2-4-8(5-3-7)17(19)20/h2-5H,1H3,(H2,14,15,16,18)