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

Systemtic Name: 5-azanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]-4-methylsulfanyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-isobenzofuran-5-yl)-4-methylsulfanyl-pyrazole-3-carbonitrile CAS Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-5-isobenzofuranyl)-4-(methylthio)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-yl)-4-methylsulfanylpyrazole-3-carbonitrile Traditional Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-phthalan-5-yl)-4-(methylthio)pyrazole-3-carbonitrile Formula: C13H7ClF4N4OS MolecularWeight: 378.732493

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N(N=C1C#N)C2=C(C=C3C(=C2)C(OC3(F)F)(F)F)Cl)N

Isomeric SMILES

CSC1=C(N(N=C1C#N)C2=C(C=C3C(=C2)C(OC3(F)F)(F)F)Cl)N

InChI

InChI=1S/C13H7ClF4N4OS/c1-24-10-8(4-19)21-22(11(10)20)9-3-6-5(2-7(9)14)12(15,16)23-13(6,17)18/h2-3H,20H2,1H3