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

Systemtic Name: 1-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(m-tolyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole CAS Name: 1-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazole IUPAC Name: 1-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole Traditional Name: 1-(m-tolyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]tetrazole Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O4S/c1-11-3-2-4-14(5-11)21-17(18-19-20-21)27-9-13-7-15(22(23)24)6-12-8-25-10-26-16(12)13/h2-7H,8-10H2,1H3