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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=S)N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=S)N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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