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

Systemtic Name: 5-azanyl-1-[6-(4-chloranyl-2-methyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chloro-2-methyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chloro-2-methylphenoxy)-2-phenyl-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chloro-2-methylphenoxy)-2-phenylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chloro-2-methyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C22H17ClN6OS MolecularWeight: 448.92798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN6OS/c1-13-10-15(23)8-9-17(13)30-19-11-18(26-21(27-19)14-6-4-3-5-7-14)29-20(25)16(12-24)22(28-29)31-2/h3-11H,25H2,1-2H3