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

Systemtic Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]benzoate Openeye Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]benzoate CAS Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]benzoate IUPAC Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]benzoate Traditional Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]benzoate Formula: C19H16N3O2S- MolecularWeight: 350.41424

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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)/p-1