5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-tetrazole CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenyltetrazole IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole Traditional Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenyl-tetrazole Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c22-21(23)14-6-11-8-24-10-25-15(11)12(7-14)9-26-16-17-18-19-20(16)13-4-2-1-3-5-13/h1-7H,8-10H2