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

Systemtic Name: ethyl 5-azanyl-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-benzylsulfanyl-1H-pyrazole-4-carboxylate CAS Name: 5-amino-3-(phenylmethylthio)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-benzylsulfanyl-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2S/c1-2-18-13(17)10-11(14)15-16-12(10)19-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,14,15,16)