ethyl 1-phenyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[[2-phenyl-2-(phenylthio)acetyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-2-32-26(31)22-18-27-29(20-14-8-4-9-15-20)24(22)28-25(30)23(19-12-6-3-7-13-19)33-21-16-10-5-11-17-21/h3-18,23H,2H2,1H3,(H,28,30)