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

Systemtic Name: 5-azanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]-4-propan-2-ylsulfanyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-isobenzofuran-5-yl)-4-isopropylsulfanyl-pyrazole-3-carbonitrile CAS Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-5-isobenzofuranyl)-4-(propan-2-ylthio)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-yl)-4-propan-2-ylsulfanylpyrazole-3-carbonitrile Traditional Name: 5-amino-1-(6-chloro-1,1,3,3-tetrafluoro-phthalan-5-yl)-4-(isopropylthio)pyrazole-3-carbonitrile Formula: C15H11ClF4N4OS MolecularWeight: 406.785653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N(N=C1C#N)C2=C(C=C3C(=C2)C(OC3(F)F)(F)F)Cl)N

Isomeric SMILES

CC(C)SC1=C(N(N=C1C#N)C2=C(C=C3C(=C2)C(OC3(F)F)(F)F)Cl)N

InChI

InChI=1S/C15H11ClF4N4OS/c1-6(2)26-12-10(5-21)23-24(13(12)22)11-4-8-7(3-9(11)16)14(17,18)25-15(8,19)20/h3-4,6H,22H2,1-2H3