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

Systemtic Name: 2-[2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=O)CSC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=O)CSC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C16H19N3O3S/c1-4-19-11(3)15(10(2)18-19)17-14(20)9-23-13-8-6-5-7-12(13)16(21)22/h5-8H,4,9H2,1-3H3,(H,17,20)(H,21,22)