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

Systemtic Name: 5-azanyl-1-[6-[2,4-bis(chloranyl)phenoxy]-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(2,4-dichlorophenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(2,4-dichlorophenoxy)-2-phenyl-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(2,4-dichlorophenoxy)-2-phenylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(2,4-dichlorophenoxy)-2-phenyl-pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C21H14Cl2N6OS MolecularWeight: 469.34646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CSC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N6OS/c1-31-21-14(11-24)19(25)29(28-21)17-10-18(30-16-8-7-13(22)9-15(16)23)27-20(26-17)12-5-3-2-4-6-12/h2-10H,25H2,1H3