ethyl 5-[(4-methylphenyl)carbonylamino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-methylphenyl)carbonylamino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-methylbenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-methylphenyl)-oxomethyl]amino]-3-(methylthio)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methylbenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Traditional Name: 3-(methylthio)-5-(p-toluoylamino)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1SC)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1SC)NC(=O)C2=CC=C(C=C2)C

InChI

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