4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]benzoic acid

Systemtic Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]benzoic acid Openeye Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]benzoic acid CAS Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]benzoic acid IUPAC Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]benzoic acid Traditional Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]benzoic acid Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O2S/c1-12-18(13(2)22-21-12)25-17-6-4-3-5-16(17)20-11-14-7-9-15(10-8-14)19(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)