2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl]thio]benzoic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H19N3O3S/c1-22(12-15-11-21-23(13-15)16-7-3-2-4-8-16)19(24)14-27-18-10-6-5-9-17(18)20(25)26/h2-11,13H,12,14H2,1H3,(H,25,26)