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

Systemtic Name: 5-azanyl-1-[6-(2-chloranyl-4-fluoranyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(2-chloro-4-fluoro-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(2-chloro-4-fluorophenoxy)-2-(methylthio)-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(2-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(2-chloro-4-fluoro-phenoxy)-2-(methylthio)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C17H14ClFN6OS MolecularWeight: 404.849063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H14ClFN6OS/c1-3-12-10(8-20)16(21)25(24-12)14-7-15(23-17(22-14)27-2)26-13-5-4-9(19)6-11(13)18/h4-7H,3,21H2,1-2H3