ethyl N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxidanylidene-4H-pyrazol-3-yl]carbamate

Systemtic Name: ethyl N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxidanylidene-4H-pyrazol-3-yl]carbamate Openeye Name: ethyl N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamate CAS Name: N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamate Traditional Name: N-[5-keto-1-(4-mesylphenyl)-4-methyl-2-pyrazolin-3-yl]carbamic acid ethyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NN(C(=O)C1C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)NC1=NN(C(=O)C1C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H17N3O5S/c1-4-22-14(19)15-12-9(2)13(18)17(16-12)10-5-7-11(8-6-10)23(3,20)21/h5-9H,4H2,1-3H3,(H,15,16,19)