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

Systemtic Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[3-(ethylthio)-5-methyl-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[3-(ethylthio)-5-methyl-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:

CCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C4=CC=CC=C4

InChI

InChI=1S/C23H20N6S/c1-3-30-22-21(16(2)29(28-22)19-7-5-4-6-8-19)20-13-14-25-23(27-20)26-18-11-9-17(15-24)10-12-18/h4-14H,3H2,1-2H3,(H,25,26,27)