O-[(E)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl] benzenecarbothioate

Systemtic Name: O-[(E)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl] benzenecarbothioate Openeye Name: O-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl] benzenecarbothioate CAS Name: benzenecarbothioic acid O-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)ethenyl] ester IUPAC Name: O-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethenyl] benzenecarbothioate Traditional Name: thiobenzoic acid O-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl] ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(OC(=S)C2=CC=CC=C2)ON)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1/C=C(\OC(=S)C2=CC=CC=C2)/ON)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O3S/c1-14-17(19(23(2)22-14)24-16-11-7-4-8-12-16)13-18(26-21)25-20(27)15-9-5-3-6-10-15/h3-13H,21H2,1-2H3/b18-13+