3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-methyl-4-[[4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-methyl-4-[[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C23H20N6S MolecularWeight: 412.5101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)NC2=NC=CC(=N2)C3=C(N(N=C3SC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)NC2=NC=CC(=N2)C3=C(N(N=C3SC)C4=CC=CC=C4)C

InChI

InChI=1S/C23H20N6S/c1-15-13-17(14-24)9-10-19(15)26-23-25-12-11-20(27-23)21-16(2)29(28-22(21)30-3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,25,26,27)