4-(3-methoxyphenyl)sulfanyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-(3-methoxyphenyl)sulfanyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(3-methoxyphenyl)sulfanyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-[(3-methoxyphenyl)thio]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(3-methoxyphenyl)sulfanyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-[(3-methoxyphenyl)thio]-4-nitro-1-oxido-benzofurazan-1-ium Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5S/c1-20-8-3-2-4-9(7-8)22-11-6-5-10(15(17)18)12-13(11)16(19)21-14-12/h2-7H,1H3