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

Systemtic Name: 5-azanyl-1-[6-(4-chloranyl-2-methyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chloro-2-methyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chloro-2-methylphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chloro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chloro-2-methyl-phenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C16H13ClN6OS MolecularWeight: 372.83202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)SC

InChI

InChI=1S/C16H13ClN6OS/c1-9-5-11(17)3-4-12(9)24-14-6-13(21-16(22-14)25-2)23-15(19)10(7-18)8-20-23/h3-6,8H,19H2,1-2H3