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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

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