3-methylsulfanyl-1-phenyl-5-[4-(trifluoromethyloxy)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-1-phenyl-5-[4-(trifluoromethyloxy)phenyl]pyrazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-1-phenyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbonitrile CAS Name: 3-(methylthio)-1-phenyl-5-[4-(trifluoromethoxy)phenyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methylsulfanyl-1-phenyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbonitrile Traditional Name: 3-(methylthio)-1-phenyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbonitrile Formula: C18H12F3N3OS MolecularWeight: 375.36759

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CSC1=NN(C(=C1C#N)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H12F3N3OS/c1-26-17-15(11-22)16(24(23-17)13-5-3-2-4-6-13)12-7-9-14(10-8-12)25-18(19,20)21/h2-10H,1H3