5-azanyl-1-[6-(2-chloranyl-4-fluoranyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(2-chloranyl-4-fluoranyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(2-chloro-4-fluoro-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(2-chloro-4-fluorophenoxy)-2-(methylthio)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(2-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(2-chloro-4-fluoro-phenoxy)-2-(methylthio)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C16H12ClFN6OS2 MolecularWeight: 422.887483

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CSC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H12ClFN6OS2/c1-26-15-9(7-19)14(20)24(23-15)12-6-13(22-16(21-12)27-2)25-11-4-3-8(18)5-10(11)17/h3-6H,20H2,1-2H3