(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S/c1-18-21(15-26)22(29(27-18)19-9-3-2-4-10-19)16-32-25(31)20-11-5-6-12-23(20)33-17-24(30)28-13-7-8-14-28/h2-6,9-12H,7-8,13-14,16-17H2,1H3