5-azanyl-3-methylsulfanyl-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-methylsulfanyl-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methylsulfanyl-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(methylthio)-1-(6-phenoxy-2-phenyl-4-pyrimidinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methylsulfanyl-1-(6-phenoxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(methylthio)-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile Formula: C21H16N6OS MolecularWeight: 400.45634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H16N6OS/c1-29-21-16(13-22)19(23)27(26-21)17-12-18(28-15-10-6-3-7-11-15)25-20(24-17)14-8-4-2-5-9-14/h2-12H,23H2,1H3