4-nitro-N-(phenylmethyl)-2,1,3-benzothiadiazol-5-amine

Systemtic Name: 4-nitro-N-(phenylmethyl)-2,1,3-benzothiadiazol-5-amine Openeye Name: N-benzyl-4-nitro-2,1,3-benzothiadiazol-5-amine CAS Name: 4-nitro-N-(phenylmethyl)-2,1,3-benzothiadiazol-5-amine IUPAC Name: N-benzyl-4-nitro-2,1,3-benzothiadiazol-5-amine Traditional Name: benzyl-(4-nitropiazthiol-5-yl)amine Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O2S/c18-17(19)13-11(7-6-10-12(13)16-20-15-10)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2