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

Systemtic Name: [(E)-(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methylideneamino]oxymethyl benzoate Openeye Name: [(E)-(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methyleneamino]oxymethyl benzoate CAS Name: benzoic acid [(E)-[1,3-dimethyl-5-(phenylthio)-4-pyrazolyl]methylideneamino]oxymethyl ester IUPAC Name: [(E)-(1,3-dimethyl-5-phenylsulfanylpyrazol-4-yl)methylideneamino]oxymethyl benzoate Traditional Name: benzoic acid [(E)-[1,3-dimethyl-5-(phenylthio)pyrazol-4-yl]methyleneamino]oxymethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-15-18(19(23(2)22-15)27-17-11-7-4-8-12-17)13-21-26-14-25-20(24)16-9-5-3-6-10-16/h3-13H,14H2,1-2H3/b21-13+