1-[2,4-dimethyl-3-(sulfinylamino)phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[2,4-dimethyl-3-(sulfinylamino)phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[2,4-dimethyl-3-(sulfinylamino)phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[2,4-dimethyl-3-(sulfinylamino)phenyl]-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[2,4-dimethyl-3-(sulfinylamino)phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-[2,4-dimethyl-3-(sulfinylamino)phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)OC)C)N=S=O

Isomeric SMILES

CC1=C(C(=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)OC)C)N=S=O

InChI

InChI=1S/C19H17N3O4S/c1-11-4-9-16(12(2)18(11)21-27-25)22-17(10-15(20-22)19(23)24)13-5-7-14(26-3)8-6-13/h4-10H,1-3H3,(H,23,24)