1-methyl-7-nitro-6-(phenylsulfonylmethyl)benzotriazole

Systemtic Name: 1-methyl-7-nitro-6-(phenylsulfonylmethyl)benzotriazole Openeye Name: 6-(benzenesulfonylmethyl)-1-methyl-7-nitro-benzotriazole CAS Name: 6-(benzenesulfonylmethyl)-1-methyl-7-nitrobenzotriazole IUPAC Name: 6-(benzenesulfonylmethyl)-1-methyl-7-nitrobenzotriazole Traditional Name: 6-(besylmethyl)-1-methyl-7-nitro-benzotriazole Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3)N=N1

InChI

InChI=1S/C14H12N4O4S/c1-17-14-12(15-16-17)8-7-10(13(14)18(19)20)9-23(21,22)11-5-3-2-4-6-11/h2-8H,9H2,1H3