2-propylsulfanyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 2-propylsulfanyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenecarbonitrile Openeye Name: 2-propylsulfanyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzonitrile CAS Name: 2-(propylthio)-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzonitrile IUPAC Name: 2-propylsulfanyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzonitrile Traditional Name: 2-(propylthio)-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzonitrile Formula: C14H12F3N3S MolecularWeight: 311.32539

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)C2=NNC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CCCSC1=C(C=CC(=C1)C2=NNC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H12F3N3S/c1-2-5-21-12-6-9(3-4-10(12)8-18)11-7-13(20-19-11)14(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,19,20)