4-(6-azanyl-2-sulfanylidene-3H-1,3-benzothiazol-4-yl)butane-1,1-disulfonyl chloride

Systemtic Name: 4-(6-azanyl-2-sulfanylidene-3H-1,3-benzothiazol-4-yl)butane-1,1-disulfonyl chloride Openeye Name: 4-(6-amino-2-thioxo-3H-1,3-benzothiazol-4-yl)butane-1,1-disulfonyl chloride CAS Name: 4-(6-amino-2-sulfanylidene-3H-1,3-benzothiazol-4-yl)butane-1,1-disulfonyl chloride IUPAC Name: 4-(6-amino-2-sulfanylidene-3H-1,3-benzothiazol-4-yl)butane-1,1-disulfonyl chloride Traditional Name: 4-(6-amino-2-thioxo-3H-1,3-benzothiazol-4-yl)butane-1,1-disulfonyl chloride Formula: C11H12Cl2N2O4S4 MolecularWeight: 435.38998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1SC(=S)N2)CCCC(S(=O)(=O)Cl)S(=O)(=O)Cl)N

Isomeric SMILES

C1=C(C=C(C2=C1SC(=S)N2)CCCC(S(=O)(=O)Cl)S(=O)(=O)Cl)N

InChI

InChI=1S/C11H12Cl2N2O4S4/c12-22(16,17)9(23(13,18)19)3-1-2-6-4-7(14)5-8-10(6)15-11(20)21-8/h4-5,9H,1-3,14H2,(H,15,20)