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

Systemtic Name: 1-(2-ethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2-ethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole CAS Name: 1-(2-ethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazole IUPAC Name: 1-(2-ethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole Traditional Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-o-phenetyl-tetrazole Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H17N5O5S/c1-2-27-16-6-4-3-5-15(16)22-18(19-20-21-22)29-10-13-8-14(23(24)25)7-12-9-26-11-28-17(12)13/h3-8H,2,9-11H2,1H3