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

Systemtic Name: 7-nitro-4-(phenylmethylsulfanyl)-2,1,3-benzoxadiazole Openeye Name: 4-benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole CAS Name: 7-nitro-4-(phenylmethylthio)-2,1,3-benzoxadiazole IUPAC Name: 4-benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-(benzylthio)-7-nitro-benzofurazan Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O3S/c17-16(18)10-6-7-11(13-12(10)14-19-15-13)20-8-9-4-2-1-3-5-9/h1-7H,8H2