ethyl 1-phenyl-5-(2-pyrimidin-2-ylsulfanylethanoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-(2-pyrimidin-2-ylsulfanylethanoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[[2-(2-pyrimidylthio)acetyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H17N5O3S/c1-2-26-17(25)14-11-21-23(13-7-4-3-5-8-13)16(14)22-15(24)12-27-18-19-9-6-10-20-18/h3-11H,2,12H2,1H3,(H,22,24)