1-[4-(diethylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-[4-(diethylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-[4-(diethylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 1-[4-(diethylamino)phenyl]-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-[4-(diethylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 1-[4-(diethylamino)phenyl]-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-4-24(5-2)18-8-10-19(11-9-18)25-21(14-17(15-22)23-25)16-6-12-20(13-7-16)28(3,26)27/h6-14H,4-5H2,1-3H3