5-azanyl-1-[6-(4-chloranylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(4-chloranylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenyl-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenyl-pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C21H15ClN6OS MolecularWeight: 434.9014

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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=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN6OS/c1-30-21-16(12-23)19(24)28(27-21)17-11-18(29-15-9-7-14(22)8-10-15)26-20(25-17)13-5-3-2-4-6-13/h2-11H,24H2,1H3