3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-(2-phenylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-(2-phenylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-(2-phenylsulfanylphenyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(1-ethyl-3-methyl-4-pyrazolyl)-N-[2-(phenylthio)phenyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-phenylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[2-(phenylthio)phenyl]-2-isoxazoline-5-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-3-26-14-17(15(2)24-26)19-13-20(28-25-19)22(27)23-18-11-7-8-12-21(18)29-16-9-5-4-6-10-16/h4-12,14,20H,3,13H2,1-2H3,(H,23,27)