4-(2,3-dinitrophenyl)-3H-1,3-benzothiazole-2-thione

Systemtic Name: 4-(2,3-dinitrophenyl)-3H-1,3-benzothiazole-2-thione Openeye Name: 4-(2,3-dinitrophenyl)-3H-1,3-benzothiazole-2-thione CAS Name: 4-(2,3-dinitrophenyl)-3H-1,3-benzothiazole-2-thione IUPAC Name: 4-(2,3-dinitrophenyl)-3H-1,3-benzothiazole-2-thione Traditional Name: 4-(2,3-dinitrophenyl)-3H-1,3-benzothiazole-2-thione Formula: C13H7N3O4S2 MolecularWeight: 333.34238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C3C(=CC=C2)SC(=S)N3

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C3C(=CC=C2)SC(=S)N3

InChI

InChI=1S/C13H7N3O4S2/c17-15(18)9-5-1-4-8(12(9)16(19)20)7-3-2-6-10-11(7)14-13(21)22-10/h1-6H,(H,14,21)