4,4-bis(oxidanidyl)-3,10-dihydropyrazolo[3,4-c][1,2]benzothiazepin-4-ium

Systemtic Name: 4,4-bis(oxidanidyl)-3,10-dihydropyrazolo[3,4-c][1,2]benzothiazepin-4-ium Openeye Name: 4,4-dioxido-3,10-dihydropyrazolo[3,4-c][1,2]benzothiazepin-4-ium CAS Name: 4,4-dioxido-3,10-dihydropyrazolo[3,4-c][1,2]benzothiazepin-4-ium IUPAC Name: 4,4-dioxido-3,10-dihydropyrazolo[3,4-c][1,2]benzothiazepin-4-ium Traditional Name: 4,4-dioxido-3,10-dihydropyrazolo[3,4-c][1,2]benzothiazepin-4-ium Formula: C10H8N3O2S- MolecularWeight: 234.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2S[N+](C3=C1C=NN3)([O-])[O-]

Isomeric SMILES

C1C2=CC=CC=C2S[N+](C3=C1C=NN3)([O-])[O-]

InChI

InChI=1S/C10H8N3O2S/c14-13(15)10-8(6-11-12-10)5-7-3-1-2-4-9(7)16-13/h1-4,6H,5H2,(H,11,12)/q-1