2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-nitro-1H-benzimidazole

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-nitro-1H-benzimidazole Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-nitro-1H-benzimidazole CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-nitro-1H-benzimidazole IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-nitro-1H-benzimidazole Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-nitro-1H-benzimidazole Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-19(21)10-5-6-12-13(7-10)18-16(17-12)24-9-11-8-22-14-3-1-2-4-15(14)23-11/h1-7,11H,8-9H2,(H,17,18)