6-nitro-3-[[(4-nitrophenyl)amino]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 6-nitro-3-[[(4-nitrophenyl)amino]methyl]-1,3-benzothiazole-2-thione Openeye Name: 6-nitro-3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione CAS Name: 6-nitro-3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 6-nitro-3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione Traditional Name: 6-nitro-3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione Formula: C14H10N4O4S2 MolecularWeight: 362.3836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O4S2/c19-17(20)10-3-1-9(2-4-10)15-8-16-12-6-5-11(18(21)22)7-13(12)24-14(16)23/h1-7,15H,8H2