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

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole Openeye Name: 1-(4-isopropylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-(4-propan-2-ylphenyl)tetrazole IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole Traditional Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-p-cumenyl-tetrazole Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c1-12(2)13-3-5-16(6-4-13)23-19(20-21-22-23)29-10-15-8-17(24(25)26)7-14-9-27-11-28-18(14)15/h3-8,12H,9-11H2,1-2H3