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

Systemtic Name: 3-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H18N6S/c1-15-20(21(29-2)27-28(15)18-9-4-3-5-10-18)19-11-12-24-22(26-19)25-17-8-6-7-16(13-17)14-23/h3-13H,1-2H3,(H,24,25,26)