ethyl 5-azanyl-1-cyclohexylcarbonyl-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-cyclohexylcarbonyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(cyclohexanecarbonyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[cyclohexyl(oxo)methyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(cyclohexanecarbonyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(cyclohexanecarbonyl)-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2CCCCC2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2CCCCC2)N

InChI

InChI=1S/C14H21N3O3S/c1-3-20-14(19)10-11(15)17(16-12(10)21-2)13(18)9-7-5-4-6-8-9/h9H,3-8,15H2,1-2H3