1-[2,6-bis(chloranyl)-4-(methylideneamino)phenyl]-4-(4-methylsulfonylphenoxy)-5-oxidanylidene-4H-pyrazole-3-carbaldehyde

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(methylideneamino)phenyl]-4-(4-methylsulfonylphenoxy)-5-oxidanylidene-4H-pyrazole-3-carbaldehyde Openeye Name: 1-[2,6-dichloro-4-(methyleneamino)phenyl]-4-(4-methylsulfonylphenoxy)-5-oxo-4H-pyrazole-3-carbaldehyde CAS Name: 1-[2,6-dichloro-4-(methyleneamino)phenyl]-4-(4-methylsulfonylphenoxy)-5-oxo-4H-pyrazole-3-carboxaldehyde IUPAC Name: 1-[2,6-dichloro-4-(methylideneamino)phenyl]-4-(4-methylsulfonylphenoxy)-5-oxo-4H-pyrazole-3-carbaldehyde Traditional Name: 1-[2,6-dichloro-4-(methyleneamino)phenyl]-5-keto-4-(4-mesylphenoxy)-2-pyrazoline-3-carbaldehyde Formula: C18H13Cl2N3O5S MolecularWeight: 454.28392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2C(=NN(C2=O)C3=C(C=C(C=C3Cl)N=C)Cl)C=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2C(=NN(C2=O)C3=C(C=C(C=C3Cl)N=C)Cl)C=O

InChI

InChI=1S/C18H13Cl2N3O5S/c1-21-10-7-13(19)16(14(20)8-10)23-18(25)17(15(9-24)22-23)28-11-3-5-12(6-4-11)29(2,26)27/h3-9,17H,1H2,2H3