methyl 3-phenyl-4-thiomorpholin-4-yl-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-phenyl-4-thiomorpholin-4-yl-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-phenyl-4-thiomorpholino-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-4-thiomorpholin-4-yl-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-phenyl-4-thiomorpholin-4-yl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-4-thiomorpholino-1H-pyrazole-5-carboxylic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N3CCSCC3

Isomeric SMILES

COC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N3CCSCC3

InChI

InChI=1S/C15H17N3O2S/c1-20-15(19)13-14(18-7-9-21-10-8-18)12(16-17-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17)