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

Systemtic Name: ethyl 3-azanyl-1-(2-methylphenyl)carbonyl-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-(2-methylbenzoyl)-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-[(2-methylphenyl)-oxomethyl]-5-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(2-methylbenzoyl)-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 3-amino-5-(methylthio)-1-o-toluoyl-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)C2=CC=CC=C2C)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=CC=C2C)SC

InChI

InChI=1S/C15H17N3O3S/c1-4-21-15(20)11-12(16)17-18(14(11)22-3)13(19)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3,(H2,16,17)