1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 5-(4-methylsulfonylphenyl)-1-[4-(methylthio)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 5-(4-mesylphenyl)-1-[4-(methylthio)phenyl]pyrazole-3-carbonitrile Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H15N3O2S2/c1-24-16-7-5-15(6-8-16)21-18(11-14(12-19)20-21)13-3-9-17(10-4-13)25(2,22)23/h3-11H,1-2H3