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

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carbonitrile Openeye Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile CAS Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile Traditional Name: 1-[4-(2-ketoethylamino)phenyl]-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C19H16N4O3S MolecularWeight: 380.42034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)NCC=O)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)NCC=O)C#N

InChI

InChI=1S/C19H16N4O3S/c1-27(25,26)18-8-2-14(3-9-18)19-12-16(13-20)22-23(19)17-6-4-15(5-7-17)21-10-11-24/h2-9,11-12,21H,10H2,1H3