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

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-carbamothioyl]sulfanylethanoic acid Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-carbamothioyl]sulfanylacetic acid CAS Name: 2-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylcarbamothioyl]sulfanylacetic acid Traditional Name: 2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-thiocarbamoyl]thio]acetic acid Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=S)SCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=S)SCC(=O)O

InChI

InChI=1S/C15H17N3O3S2/c1-10-13(16(2)15(22)23-9-12(19)20)14(21)18(17(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,19,20)