7-chloranyl-4-nitro-5-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole

Systemtic Name: 7-chloranyl-4-nitro-5-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole Openeye Name: 7-chloro-4-nitro-5-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole CAS Name: 7-chloro-4-nitro-5-(7H-purin-6-ylthio)-2,1,3-benzothiadiazole IUPAC Name: 7-chloro-4-nitro-5-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole Traditional Name: 7-chloro-4-nitro-5-(7H-purin-6-ylthio)piazthiole Formula: C11H4ClN7O2S2 MolecularWeight: 365.77816

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NSN=C2C(=C1SC3=NC=NC4=C3NC=N4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=C(C2=NSN=C2C(=C1SC3=NC=NC4=C3NC=N4)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H4ClN7O2S2/c12-4-1-5(9(19(20)21)7-6(4)17-23-18-7)22-11-8-10(14-2-13-8)15-3-16-11/h1-3H,(H,13,14,15,16)