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

Systemtic Name: ethyl 1-aminocarbonyl-5-azanyl-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-benzylsulfanyl-1-carbamoyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-carbamoyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-benzylsulfanyl-1-carbamoylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-carbamoyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-2-21-13(19)10-11(15)18(14(16)20)17-12(10)22-8-9-6-4-3-5-7-9/h3-7H,2,8,15H2,1H3,(H2,16,20)