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

Systemtic Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]phenol Openeye Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazol-1-yl]phenol CAS Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-tetrazolyl]phenol IUPAC Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazol-1-yl]phenol Traditional Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazol-1-yl]phenol Formula: C16H13N5O5S MolecularWeight: 387.36992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O5S/c22-14-3-1-12(2-4-14)20-16(17-18-19-20)27-8-11-6-13(21(23)24)5-10-7-25-9-26-15(10)11/h1-6,22H,7-9H2