5-azanyl-3-methylsulfanyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-methylsulfanyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methylsulfanyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(methylthio)-1-(2-nitrophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methylsulfanyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(methylthio)-1-(2-nitrophenyl)pyrazole-4-carbonitrile Formula: C11H9N5O2S MolecularWeight: 275.28646

Click to see the large picture

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