[5-azanyl-3-(phenylmethylsulfanyl)-1H-pyrazol-4-yl] methyl carbonate

Systemtic Name: [5-azanyl-3-(phenylmethylsulfanyl)-1H-pyrazol-4-yl] methyl carbonate Openeye Name: (5-amino-3-benzylsulfanyl-1H-pyrazol-4-yl) methyl carbonate CAS Name: carbonic acid [5-amino-3-(phenylmethylthio)-1H-pyrazol-4-yl] methyl ester IUPAC Name: (5-amino-3-benzylsulfanyl-1H-pyrazol-4-yl) methyl carbonate Traditional Name: carbonic acid [5-amino-3-(benzylthio)-1H-pyrazol-4-yl] methyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)OC1=C(NN=C1SCC2=CC=CC=C2)N

InChI

InChI=1S/C12H13N3O3S/c1-17-12(16)18-9-10(13)14-15-11(9)19-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,13,14,15)