(2R,4R)-2-(5-chloranyl-1,3-diphenyl-pyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(5-chloranyl-1,3-diphenyl-pyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(5-chloro-1,3-diphenyl-pyrazol-4-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(5-chloro-1,3-diphenyl-4-pyrazolyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(5-chloro-1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(5-chloro-1,3-diphenyl-pyrazol-4-yl)thiazolidin-3-ium-4-carboxylate Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+][C@H](S1)C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C19H16ClN3O2S/c20-17-15(18-21-14(11-26-18)19(24)25)16(12-7-3-1-4-8-12)22-23(17)13-9-5-2-6-10-13/h1-10,14,18,21H,11H2,(H,24,25)/t14-,18+/m0/s1