4-(4-methylsulfanylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile

Systemtic Name: 4-(4-methylsulfanylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile Openeye Name: 4-(4-methylsulfanylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile CAS Name: 4-[4-(methylthio)phenyl]-1-(2-nitrophenyl)-3-pyrazolecarbonitrile IUPAC Name: 4-(4-methylsulfanylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile Traditional Name: 4-[4-(methylthio)phenyl]-1-(2-nitrophenyl)pyrazole-3-carbonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CN(N=C2C#N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CN(N=C2C#N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O2S/c1-24-13-8-6-12(7-9-13)14-11-20(19-15(14)10-18)16-4-2-3-5-17(16)21(22)23/h2-9,11H,1H3