2-azanyl-5-ethylsulfonyl-phenol; 5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 2-azanyl-5-ethylsulfonyl-phenol; 5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 2-amino-5-ethylsulfonyl-phenol; 5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 2-amino-5-ethylsulfonylphenol; 5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 2-amino-5-ethylsulfonylphenol; 5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 2-amino-5-esyl-phenol; 5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N)O.CC1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N)O.CC1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O.C8H11NO3S/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9;1-2-13(11,12)6-3-4-7(9)8(10)5-6/h2-7,11H,1H3;3-5,10H,2,9H2,1H3