[(E)-N'-[(6-nitro-2-oxidanylidene-indol-3-yl)amino]carbamimidoyl]sulfanyl-phenyl-borinic acid

Systemtic Name: [(E)-N'-[(6-nitro-2-oxidanylidene-indol-3-yl)amino]carbamimidoyl]sulfanyl-phenyl-borinic acid Openeye Name: [(E)-N'-[(6-nitro-2-oxo-indol-3-yl)amino]carbamimidoyl]sulfanyl-phenyl-borinic acid CAS Name: [[(E)-amino-[(6-nitro-2-oxo-3-indolyl)hydrazinylidene]methyl]thio]-phenylborinic acid IUPAC Name: [(E)-N'-[(6-nitro-2-oxoindol-3-yl)amino]carbamimidoyl]sulfanyl-phenylborinic acid Traditional Name: [[(E)-N'-[(2-keto-6-nitro-indol-3-yl)amino]amidino]thio]-phenyl-borinic acid Formula: C15H12BN5O4S MolecularWeight: 369.16288

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(O)SC(=NNC2=C3C=CC(=CC3=NC2=O)[N+](=O)[O-])N

Isomeric SMILES

B(C1=CC=CC=C1)(O)S/C(=N/NC2=C3C=CC(=CC3=NC2=O)[N+](=O)[O-])/N

InChI

InChI=1S/C15H12BN5O4S/c17-15(26-16(23)9-4-2-1-3-5-9)20-19-13-11-7-6-10(21(24)25)8-12(11)18-14(13)22/h1-8,23H,(H2,17,20)(H,18,19,22)