2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-nitro-1H-benzimidazole

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-nitro-1H-benzimidazole CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-nitro-1H-benzimidazole IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-nitro-1H-benzimidazole Formula: C15H10ClN3O4S MolecularWeight: 363.7756

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H10ClN3O4S/c16-10-5-14-13(22-7-23-14)3-8(10)6-24-15-17-11-2-1-9(19(20)21)4-12(11)18-15/h1-5H,6-7H2,(H,17,18)