N-[2-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[2-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]phenyl]methanesulfonamide Openeye Name: N-[2-[(4E)-4-[(2-ethylanilino)methylene]-3-methyl-5-oxo-pyrazol-1-yl]phenyl]methanesulfonamide CAS Name: N-[2-[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxo-1-pyrazolyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]methanesulfonamide Traditional Name: N-[2-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]phenyl]methanesulfonamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=CC=CC=C3NS(=O)(=O)C)C

Isomeric SMILES

CCC1=CC=CC=C1N/C=C/2\C(=NN(C2=O)C3=CC=CC=C3NS(=O)(=O)C)C

InChI

InChI=1S/C20H22N4O3S/c1-4-15-9-5-6-10-17(15)21-13-16-14(2)22-24(20(16)25)19-12-8-7-11-18(19)23-28(3,26)27/h5-13,21,23H,4H2,1-3H3/b16-13+