5-azanyl-3-methylsulfanyl-1-(3-nitrophenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-methylsulfanyl-1-(3-nitrophenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methylsulfanyl-1-(3-nitrophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(methylthio)-1-(3-nitrophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methylsulfanyl-1-(3-nitrophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(methylthio)-1-(3-nitrophenyl)pyrazole-4-carbonitrile Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N5O2S/c1-19-11-9(6-12)10(13)15(14-11)7-3-2-4-8(5-7)16(17)18/h2-5H,13H2,1H3