2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]acetic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC(=O)O

InChI

InChI=1S/C15H17N3O4S/c1-10-14(16-12(19)8-23-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)