tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate

Systemtic Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate Openeye Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methyleneamino]oxymethyl]benzoate CAS Name: 4-[[(E)-[1,3-dimethyl-5-(phenylthio)-4-pyrazolyl]methylideneamino]oxymethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenylsulfanylpyrazol-4-yl)methylideneamino]oxymethyl]benzoate Traditional Name: 4-[[(E)-[1,3-dimethyl-5-(phenylthio)pyrazol-4-yl]methyleneamino]oxymethyl]benzoic acid tert-butyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)SC3=CC=CC=C3)C

InChI

InChI=1S/C24H27N3O3S/c1-17-21(22(27(5)26-17)31-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)30-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+