1-(4-methoxy-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 1-(4-methoxy-3-nitrophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 5-(4-mesylphenyl)-1-(4-methoxy-3-nitro-phenyl)pyrazole-3-carbonitrile Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c1-27-18-8-5-14(10-17(18)22(23)24)21-16(9-13(11-19)20-21)12-3-6-15(7-4-12)28(2,25)26/h3-10H,1-2H3