2-methyl-4-[2-(5-methylsulfonylpyridin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[2-(5-methylsulfonylpyridin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]benzenecarbonitrile Openeye Name: 2-methyl-4-[2-(5-methylsulfonyl-2-pyridyl)-5-(trifluoromethyl)pyrazol-3-yl]benzonitrile CAS Name: 2-methyl-4-[2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-3-pyrazolyl]benzonitrile IUPAC Name: 2-methyl-4-[2-(5-methylsulfonylpyridin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]benzonitrile Traditional Name: 4-[2-(5-mesyl-2-pyridyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-methyl-benzonitrile Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C18H13F3N4O2S/c1-11-7-12(3-4-13(11)9-22)15-8-16(18(19,20)21)24-25(15)17-6-5-14(10-23-17)28(2,26)27/h3-8,10H,1-2H3