[(E)-2-(5-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethenyl] 5-methyl-2-(1,3-thiazol-2-yl)piperazine-1-carboxylate

Systemtic Name: [(E)-2-(5-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethenyl] 5-methyl-2-(1,3-thiazol-2-yl)piperazine-1-carboxylate Openeye Name: [(E)-2-(5-oxo-2-phenyl-1H-pyrazol-4-yl)vinyl] 5-methyl-2-thiazol-2-yl-piperazine-1-carboxylate CAS Name: 5-methyl-2-(2-thiazolyl)-1-piperazinecarboxylic acid [(E)-2-(5-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl] ester IUPAC Name: [(E)-2-(5-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl] 5-methyl-2-(1,3-thiazol-2-yl)piperazine-1-carboxylate Traditional Name: 5-methyl-2-thiazol-2-yl-piperazine-1-carboxylic acid [(E)-2-(3-keto-1-phenyl-3-pyrazolin-4-yl)vinyl] ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1)C2=NC=CS2)C(=O)OC=CC3=CN(NC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C(CN1)C2=NC=CS2)C(=O)O/C=C/C3=CN(NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S/c1-14-12-24(17(11-22-14)19-21-8-10-29-19)20(27)28-9-7-15-13-25(23-18(15)26)16-5-3-2-4-6-16/h2-10,13-14,17,22H,11-12H2,1H3,(H,23,26)/b9-7+