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

Systemtic Name: 4-nitro-4-(phenylmethylsulfanyl)-1H-2,1,3-benzoxadiazole Openeye Name: 4-benzylsulfanyl-4-nitro-1H-2,1,3-benzoxadiazole CAS Name: 4-nitro-4-(phenylmethylthio)-1H-2,1,3-benzoxadiazole IUPAC Name: 4-benzylsulfanyl-4-nitro-1H-2,1,3-benzoxadiazole Traditional Name: 4-(benzylthio)-4-nitro-1H-benzofurazan Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2(C=CC=C3C2=NON3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2(C=CC=C3C2=NON3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3S/c17-16(18)13(20-9-10-5-2-1-3-6-10)8-4-7-11-12(13)15-19-14-11/h1-8,14H,9H2