5-azanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]-4-ethylsulfanyl-pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]-4-ethylsulfanyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-isobenzofuran-5-yl)-4-ethylsulfanyl-pyrazole-3-carbonitrile CAS Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-5-isobenzofuranyl)-4-(ethylthio)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-yl)-4-ethylsulfanylpyrazole-3-carbonitrile Traditional Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-phthalan-5-yl)-4-(ethylthio)pyrazole-3-carbonitrile Formula: C14H9ClF4N4OS MolecularWeight: 392.759073

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N(N=C1C#N)C2=C(C=C3C(=C2)C(OC3(F)F)(F)F)Cl)N

Isomeric SMILES

CCSC1=C(N(N=C1C#N)C2=C(C=C3C(=C2)C(OC3(F)F)(F)F)Cl)N

InChI

InChI=1S/C14H9ClF4N4OS/c1-2-25-11-9(5-20)22-23(12(11)21)10-4-7-6(3-8(10)15)13(16,17)24-14(7,18)19/h3-4H,2,21H2,1H3