3-methyl-1-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]pyrazole-4-carbonitrile Formula: C18H13F3N4S MolecularWeight: 374.38283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H13F3N4S/c1-12-15(9-22)16(25(24-12)14-5-3-2-4-6-14)11-26-17-8-7-13(10-23-17)18(19,20)21/h2-8,10H,11H2,1H3