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

Systemtic Name: 1-cyclohexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-cyclohexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole CAS Name: 1-cyclohexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazole IUPAC Name: 1-cyclohexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole Traditional Name: 1-cyclohexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazole Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C16H19N5O4S/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/h6-7,13H,1-5,8-10H2