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

Systemtic Name: 5-azanyl-1-[6-(4-chloranylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chlorophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chlorophenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chlorophenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C15H11ClN6OS MolecularWeight: 358.80544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)OC2=CC=C(C=C2)Cl)N3C(=C(C=N3)C#N)N

Isomeric SMILES

CSC1=NC(=CC(=N1)OC2=CC=C(C=C2)Cl)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C15H11ClN6OS/c1-24-15-20-12(22-14(18)9(7-17)8-19-22)6-13(21-15)23-11-4-2-10(16)3-5-11/h2-6,8H,18H2,1H3