1,3-benzothiazol-2-ylmethyl-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(4,5-dichloro-6-oxo-pyridazin-1-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(4,5-dichloro-6-oxo-1-pyridazinyl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]-methyl-ammonium Formula: C14H13Cl2N4OS+ MolecularWeight: 356.25022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C14H12Cl2N4OS/c1-19(8-20-14(21)13(16)9(15)6-17-20)7-12-18-10-4-2-3-5-11(10)22-12/h2-6H,7-8H2,1H3/p+1