4-ethyl-1-(4-methoxyphenyl)-5-(5-methylthiophen-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 4-ethyl-1-(4-methoxyphenyl)-5-(5-methylthiophen-2-yl)pyrazole-3-carboxylic acid Openeye Name: 4-ethyl-1-(4-methoxyphenyl)-5-(5-methyl-2-thienyl)pyrazole-3-carboxylic acid CAS Name: 4-ethyl-1-(4-methoxyphenyl)-5-(5-methyl-2-thiophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-ethyl-1-(4-methoxyphenyl)-5-(5-methylthiophen-2-yl)pyrazole-3-carboxylic acid Traditional Name: 4-ethyl-1-(4-methoxyphenyl)-5-(5-methyl-2-thienyl)pyrazole-3-carboxylic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(S3)C

Isomeric SMILES

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(S3)C

InChI

InChI=1S/C18H18N2O3S/c1-4-14-16(18(21)22)19-20(12-6-8-13(23-3)9-7-12)17(14)15-10-5-11(2)24-15/h5-10H,4H2,1-3H3,(H,21,22)