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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-nitro-1,3-benzothiazole Formula: C15H9ClN2O4S2 MolecularWeight: 380.82596

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H9ClN2O4S2/c16-10-5-13-12(21-7-22-13)3-8(10)6-23-15-17-11-4-9(18(19)20)1-2-14(11)24-15/h1-5H,6-7H2