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

Systemtic Name: 5-azanyl-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenyl-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6OS/c1-14-8-10-16(11-9-14)29-19-12-18(25-21(26-19)15-6-4-3-5-7-15)28-20(24)17(13-23)22(27-28)30-2/h3-12H,24H2,1-2H3