4-(1,3-benzothiazol-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole CAS Name: 4-(1,3-benzothiazol-2-ylthio)-7-nitro-2,1,3-benzoxadiazole IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-7-nitro-benzofurazan Formula: C13H6N4O3S2 MolecularWeight: 330.34174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C13H6N4O3S2/c18-17(19)8-5-6-10(12-11(8)15-20-16-12)22-13-14-7-3-1-2-4-9(7)21-13/h1-6H