S-[3-(1,2-benzothiazol-3-yl)-4-nitro-2-(trichloromethyl)phenyl]thiohydroxylamine

Systemtic Name: S-[3-(1,2-benzothiazol-3-yl)-4-nitro-2-(trichloromethyl)phenyl]thiohydroxylamine Openeye Name: S-[3-(1,2-benzothiazol-3-yl)-4-nitro-2-(trichloromethyl)phenyl]thiohydroxylamine CAS Name: S-[3-(1,2-benzothiazol-3-yl)-4-nitro-2-(trichloromethyl)phenyl]thiohydroxylamine IUPAC Name: S-[3-(1,2-benzothiazol-3-yl)-4-nitro-2-(trichloromethyl)phenyl]thiohydroxylamine Traditional Name: S-[3-(1,2-benzothiazol-3-yl)-4-nitro-2-(trichloromethyl)phenyl]thiohydroxylamine Formula: C14H8Cl3N3O2S2 MolecularWeight: 420.72122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)C3=C(C=CC(=C3C(Cl)(Cl)Cl)SN)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)C3=C(C=CC(=C3C(Cl)(Cl)Cl)SN)[N+](=O)[O-]

InChI

InChI=1S/C14H8Cl3N3O2S2/c15-14(16,17)12-10(23-18)6-5-8(20(21)22)11(12)13-7-3-1-2-4-9(7)24-19-13/h1-6H,18H2