[(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenyl] ethylsulfanylmethanoate

Systemtic Name: [(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenyl] ethylsulfanylmethanoate Openeye Name: [(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)vinyl] ethylsulfanylformate CAS Name: (ethylthio)formic acid [(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethyl-3-pyrazolyl)ethenyl] ester IUPAC Name: [(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenyl] ethylsulfanylformate Traditional Name: (ethylthio)formic acid [(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)vinyl] ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)OC(=C(C#N)C1=CC=C(C=C1)C(C)(C)C)C2=CC(=NN2C)C

Isomeric SMILES

CCSC(=O)O/C(=C(\C#N)/C1=CC=C(C=C1)C(C)(C)C)/C2=CC(=NN2C)C

InChI

InChI=1S/C21H25N3O2S/c1-7-27-20(25)26-19(18-12-14(2)23-24(18)6)17(13-22)15-8-10-16(11-9-15)21(3,4)5/h8-12H,7H2,1-6H3/b19-17+