6-(1H-benzimidazol-2-ylsulfanylmethyl)-13H-benzo[e][3,1,7]benzoxadiazecine-8,14-dione

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-13H-benzo[e][3,1,7]benzoxadiazecine-8,14-dione Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-13H-benzo[e][3,1,7]benzoxadiazecine-8,14-dione CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-13H-benzo[e][3,1,7]benzoxadiazecine-8,14-dione IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-13H-benzo[e][3,1,7]benzoxadiazecine-8,14-dione Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-13H-benzo[e][3,1,7]benzoxadiazecine-8,14-quinone Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=NC3=CC=CC=C3C(=O)N2)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=NC3=CC=CC=C3C(=O)N2)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H16N4O3S/c28-21-14-7-1-3-9-16(14)24-20(30-22(29)15-8-2-4-10-17(15)25-21)13-31-23-26-18-11-5-6-12-19(18)27-23/h1-12H,13H2,(H,25,28)(H,26,27)