2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c17-16(18)11-4-9-6-19-8-20-12(9)10(5-11)7-21-13-14-2-1-3-15-13/h1-5H,6-8H2