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

Systemtic Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]-2-methyl-benzenecarbonitrile Openeye Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]-2-methyl-benzonitrile CAS Name: 4-[[4-[3-(ethylthio)-5-methyl-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]-2-methylbenzonitrile IUPAC Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-methylbenzonitrile Traditional Name: 4-[[4-[3-(ethylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]-2-methyl-benzonitrile Formula: C24H22N6S MolecularWeight: 426.53668

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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)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6S/c1-4-31-23-22(17(3)30(29-23)20-8-6-5-7-9-20)21-12-13-26-24(28-21)27-19-11-10-18(15-25)16(2)14-19/h5-14H,4H2,1-3H3,(H,26,27,28)