1-[2-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-[2-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-[2-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 1-[2-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-[2-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 5-(4-mesylphenyl)-1-[2-(methylamino)phenyl]pyrazole-3-carbonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CNC1=CC=CC=C1N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N4O2S/c1-20-16-5-3-4-6-17(16)22-18(11-14(12-19)21-22)13-7-9-15(10-8-13)25(2,23)24/h3-11,20H,1-2H3