ethyl 3-azanyl-5-methylsulfanyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-5-methylsulfanyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-5-methylsulfanyl-1-(2-phenylacetyl)pyrazole-4-carboxylate CAS Name: 3-amino-5-(methylthio)-1-(1-oxo-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-methylsulfanyl-1-(2-phenylacetyl)pyrazole-4-carboxylate Traditional Name: 3-amino-5-(methylthio)-1-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=CC=C2)SC

InChI

InChI=1S/C15H17N3O3S/c1-3-21-15(20)12-13(16)17-18(14(12)22-2)11(19)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,16,17)