7-chloranyl-4-nitro-5-(phenylmethylsulfanyl)-2,1,3-benzoxadiazole

Systemtic Name: 7-chloranyl-4-nitro-5-(phenylmethylsulfanyl)-2,1,3-benzoxadiazole Openeye Name: 5-benzylsulfanyl-7-chloro-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-chloro-4-nitro-5-(phenylmethylthio)-2,1,3-benzoxadiazole IUPAC Name: 5-benzylsulfanyl-7-chloro-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(benzylthio)-7-chloro-4-nitro-benzofurazan Formula: C13H8ClN3O3S MolecularWeight: 321.73892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClN3O3S/c14-9-6-10(21-7-8-4-2-1-3-5-8)13(17(18)19)12-11(9)15-20-16-12/h1-6H,7H2