3-[3-chloranyl-1-methyl-5-(phenylmethylsulfanyl)pyrazol-4-yl]-5,6-dihydro-1,4,2-dioxazine

Systemtic Name: 3-[3-chloranyl-1-methyl-5-(phenylmethylsulfanyl)pyrazol-4-yl]-5,6-dihydro-1,4,2-dioxazine Openeye Name: 3-(5-benzylsulfanyl-3-chloro-1-methyl-pyrazol-4-yl)-5,6-dihydro-1,4,2-dioxazine CAS Name: 3-[3-chloro-1-methyl-5-(phenylmethylthio)-4-pyrazolyl]-5,6-dihydro-1,4,2-dioxazine IUPAC Name: 3-(5-benzylsulfanyl-3-chloro-1-methylpyrazol-4-yl)-5,6-dihydro-1,4,2-dioxazine Traditional Name: 3-[5-(benzylthio)-3-chloro-1-methyl-pyrazol-4-yl]-5,6-dihydro-1,4,2-dioxazine Formula: C14H14ClN3O2S MolecularWeight: 323.79786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)Cl)C2=NOCCO2)SCC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=N1)Cl)C2=NOCCO2)SCC3=CC=CC=C3

InChI

InChI=1S/C14H14ClN3O2S/c1-18-14(21-9-10-5-3-2-4-6-10)11(12(15)16-18)13-17-20-8-7-19-13/h2-6H,7-9H2,1H3