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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)NCC=O)N3C=CC(=N3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)NCC=O)N3C=CC(=N3)C#N

InChI

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