5-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzothiazole IUPAC Name: 5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzothiazole Formula: C16H11ClN2O4S2 MolecularWeight: 394.85254

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(S3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(S3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O4S2/c17-11-1-2-14-13(5-11)18-16(25-14)24-7-10-4-12(19(20)21)3-9-6-22-8-23-15(9)10/h1-5H,6-8H2