4-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-[4-(methylthio)phenyl]-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-[4-(methylthio)phenyl]-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyric acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C22H20N4O3S/c1-30-16-5-2-14(3-6-16)18-13-20(26(25-18)21(27)8-9-22(28)29)15-4-7-17-19(12-15)24-11-10-23-17/h2-7,10-12,20H,8-9,13H2,1H3,(H,28,29)