4-(3-oxidanylidene-1,2-diphenyl-5-sulfanylidene-pyrazolidin-4-yl)butanoic acid

Systemtic Name: 4-(3-oxidanylidene-1,2-diphenyl-5-sulfanylidene-pyrazolidin-4-yl)butanoic acid Openeye Name: 4-(3-oxo-1,2-diphenyl-5-thioxo-pyrazolidin-4-yl)butanoic acid CAS Name: 4-(3-oxo-1,2-diphenyl-5-sulfanylidene-4-pyrazolidinyl)butanoic acid IUPAC Name: 4-(3-oxo-1,2-diphenyl-5-sulfanylidenepyrazolidin-4-yl)butanoic acid Traditional Name: 4-(3-keto-1,2-diphenyl-5-thioxo-pyrazolidin-4-yl)butyric acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=S)N2C3=CC=CC=C3)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=S)N2C3=CC=CC=C3)CCCC(=O)O

InChI

InChI=1S/C19H18N2O3S/c22-17(23)13-7-12-16-18(24)20(14-8-3-1-4-9-14)21(19(16)25)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,22,23)