5-nitro-2-[2-(5-nitro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole

Systemtic Name: 5-nitro-2-[2-(5-nitro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole Openeye Name: 5-nitro-2-[2-(5-nitro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole CAS Name: 5-nitro-2-[2-(5-nitro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole IUPAC Name: 5-nitro-2-[2-(5-nitro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole Traditional Name: 5-nitro-2-[2-(5-nitro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole Formula: C16H10N4O4S2 MolecularWeight: 386.405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)CCC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)CCC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O4S2/c21-19(22)9-1-3-13-11(7-9)17-15(25-13)5-6-16-18-12-8-10(20(23)24)2-4-14(12)26-16/h1-4,7-8H,5-6H2