N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-2-isoxazoline-5-carboxamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2S/c1-3-27-13-17(14(2)25-27)19-12-20(29-26-19)22(28)24-18-6-4-5-7-21(18)30-16-10-8-15(23)9-11-16/h4-11,13,20H,3,12H2,1-2H3,(H,24,28)