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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzothiazole Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S2/c19-18(20)12-5-10-7-21-9-22-15(10)11(6-12)8-23-16-17-13-3-1-2-4-14(13)24-16/h1-6H,7-9H2