1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-4-carbonitrile Openeye Name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-4-carbonitrile CAS Name: 1-methyl-3-phenyl-5-[[3-(trifluoromethyl)phenyl]thio]-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carbonitrile Traditional Name: 1-methyl-3-phenyl-5-[[3-(trifluoromethyl)phenyl]thio]pyrazole-4-carbonitrile Formula: C18H12F3N3S MolecularWeight: 359.36819

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H12F3N3S/c1-24-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-22)16(23-24)12-6-3-2-4-7-12/h2-10H,1H3