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

Systemtic Name: [3-chloranyl-1-methyl-5-(phenylmethylsulfanyl)pyrazol-4-yl] methyl carbonate Openeye Name: (5-benzylsulfanyl-3-chloro-1-methyl-pyrazol-4-yl) methyl carbonate CAS Name: carbonic acid [3-chloro-1-methyl-5-(phenylmethylthio)-4-pyrazolyl] methyl ester IUPAC Name: (5-benzylsulfanyl-3-chloro-1-methylpyrazol-4-yl) methyl carbonate Traditional Name: carbonic acid [5-(benzylthio)-3-chloro-1-methyl-pyrazol-4-yl] methyl ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)Cl)OC(=O)OC)SCC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)Cl)OC(=O)OC)SCC2=CC=CC=C2

InChI

InChI=1S/C13H13ClN2O3S/c1-16-12(20-8-9-6-4-3-5-7-9)10(11(14)15-16)19-13(17)18-2/h3-7H,8H2,1-2H3