methyl 1-aminocarbonyl-5-azanyl-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-aminocarbonyl-5-azanyl-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-benzylsulfanyl-1-carbamoyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-carbamoyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-benzylsulfanyl-1-carbamoylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-carbamoyl-pyrazole-4-carboxylic acid methyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C(=O)N)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C(=O)N)N

InChI

InChI=1S/C13H14N4O3S/c1-20-12(18)9-10(14)17(13(15)19)16-11(9)21-7-8-5-3-2-4-6-8/h2-6H,7,14H2,1H3,(H2,15,19)