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

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-6-nitro-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=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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