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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

InChI

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