propan-2-yl 4-[[(E)-(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate

Systemtic Name: propan-2-yl 4-[[(E)-(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H25N3O3S/c1-16(2)29-23(27)19-12-10-18(11-13-19)15-28-24-14-21-17(3)25-26(4)22(21)30-20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3/b24-14+