ethyl 4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]thiomorpholine-3-carboxylate CAS Name: 4-[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]thiomorpholine-3-carboxylate Traditional Name: 4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H20BrN3O3S/c1-3-25-18(24)16-11-26-9-8-21(16)17(23)15-10-20-22(12(15)2)14-6-4-13(19)5-7-14/h4-7,10,16H,3,8-9,11H2,1-2H3