2-(2,4-dinitrophenyl)-1,3-benzothiazole-4-thiol

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)S)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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