5-nitro-2-(phenylmethyl)-1$l^{4},3,2-benzodithiazole 1-oxide

Systemtic Name: 5-nitro-2-(phenylmethyl)-1$l^{4},3,2-benzodithiazole 1-oxide Openeye Name: 2-benzyl-5-nitro-1$l^{4},3,2-benzodithiazole 1-oxide CAS Name: 5-nitro-2-(phenylmethyl)-1$l^{4},3,2-benzodithiazole 1-oxide IUPAC Name: 2-benzyl-5-nitro-1$l^{4},3,2-benzodithiazole 1-oxide Traditional Name: 2-benzyl-5-nitro-1$l^{4},3,2-benzodithiazole 1-oxide Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2SC3=C(S2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2SC3=C(S2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O3S2/c16-15(17)11-6-7-13-12(8-11)19-14(20(13)18)9-10-4-2-1-3-5-10/h1-8H,9H2