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

Systemtic Name: 1-(2,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole CAS Name: 1-(2,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazole IUPAC Name: 1-(2,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole Traditional Name: 1-(2,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazole Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-11-3-4-16(12(2)5-11)22-18(19-20-21-22)28-9-14-7-15(23(24)25)6-13-8-26-10-27-17(13)14/h3-7H,8-10H2,1-2H3