3-chloranyl-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine

Systemtic Name: 3-chloranyl-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine Openeye Name: 3-chloro-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine CAS Name: 3-chloro-2-[5-[4-(phenylthio)phenyl]-1-pyrazolyl]-5-(trifluoromethyl)pyridine IUPAC Name: 3-chloro-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine Traditional Name: 3-chloro-2-[5-[4-(phenylthio)phenyl]pyrazol-1-yl]-5-(trifluoromethyl)pyridine Formula: C21H13ClF3N3S MolecularWeight: 431.86123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CC=NN3C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CC=NN3C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H13ClF3N3S/c22-18-12-15(21(23,24)25)13-26-20(18)28-19(10-11-27-28)14-6-8-17(9-7-14)29-16-4-2-1-3-5-16/h1-13H