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

Systemtic Name: methyl 5-[(4-methylphenyl)carbonylamino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4-methylbenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-methylphenyl)-oxomethyl]amino]-3-(methylthio)-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methylbenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Traditional Name: 3-(methylthio)-5-(p-toluoylamino)-1H-pyrazole-4-carboxylic acid methyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SC)C(=O)OC

InChI

InChI=1S/C14H15N3O3S/c1-8-4-6-9(7-5-8)12(18)15-11-10(14(19)20-2)13(21-3)17-16-11/h4-7H,1-3H3,(H2,15,16,17,18)