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

Systemtic Name: 3-[1-methyl-5-(phenylmethylsulfanyl)pyrazol-4-yl]-5,6-dihydro-1,4,2-dioxazine Openeye Name: 3-(5-benzylsulfanyl-1-methyl-pyrazol-4-yl)-5,6-dihydro-1,4,2-dioxazine CAS Name: 3-[1-methyl-5-(phenylmethylthio)-4-pyrazolyl]-5,6-dihydro-1,4,2-dioxazine IUPAC Name: 3-(5-benzylsulfanyl-1-methylpyrazol-4-yl)-5,6-dihydro-1,4,2-dioxazine Traditional Name: 3-[5-(benzylthio)-1-methyl-pyrazol-4-yl]-5,6-dihydro-1,4,2-dioxazine Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S/c1-17-14(20-10-11-5-3-2-4-6-11)12(9-15-17)13-16-19-8-7-18-13/h2-6,9H,7-8,10H2,1H3