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

Systemtic Name: 4-[[4-(5-methyl-3-pentylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(5-methyl-3-pentylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[5-methyl-3-(pentylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(5-methyl-3-pentylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[3-(amylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C26H26N6S MolecularWeight: 454.58984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26N6S/c1-3-4-8-17-33-25-24(19(2)32(31-25)22-9-6-5-7-10-22)23-15-16-28-26(30-23)29-21-13-11-20(18-27)12-14-21/h5-7,9-16H,3-4,8,17H2,1-2H3,(H,28,29,30)