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

Systemtic Name: 5-azanyl-1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chloro-3,5-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chloro-3,5-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-(methylthio)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C19H19ClN6OS MolecularWeight: 414.91176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6OS/c1-5-14-13(9-21)18(22)26(25-14)15-8-16(24-19(23-15)28-4)27-12-6-10(2)17(20)11(3)7-12/h6-8H,5,22H2,1-4H3