S-ethyl 4-[(Z)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl]benzenecarbothioate

Systemtic Name: S-ethyl 4-[(Z)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl]benzenecarbothioate Openeye Name: S-ethyl 4-[(Z)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl]benzenecarbothioate CAS Name: 4-[(Z)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)ethenyl]benzenecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-[(Z)-1-aminooxy-2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethenyl]benzenecarbothioate Traditional Name: 4-[(Z)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl]thiobenzoic acid S-ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=CC=C(C=C1)C(=CC2=C(N(N=C2C)C)OC3=CC=CC=C3)ON

Isomeric SMILES

CCSC(=O)C1=CC=C(C=C1)/C(=C/C2=C(N(N=C2C)C)OC3=CC=CC=C3)/ON

InChI

InChI=1S/C22H23N3O3S/c1-4-29-22(26)17-12-10-16(11-13-17)20(28-23)14-19-15(2)24-25(3)21(19)27-18-8-6-5-7-9-18/h5-14H,4,23H2,1-3H3/b20-14-