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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C)C4=CC=CC=C4

InChI

InChI=1S/C24H22N6S/c1-3-14-31-23-22(17(2)30(29-23)20-10-5-4-6-11-20)21-12-13-26-24(28-21)27-19-9-7-8-18(15-19)16-25/h4-13,15H,3,14H2,1-2H3,(H,26,27,28)