3-bromanyl-8-chloranyl-5-oxidanidyl-2-thiophen-3-yl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 3-bromanyl-8-chloranyl-5-oxidanidyl-2-thiophen-3-yl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-bromo-8-chloro-5-oxido-2-(3-thienyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-bromo-8-chloro-5-oxido-2-(3-thiophenyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-bromo-8-chloro-5-oxido-2-thiophen-3-ylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-bromo-8-chloro-5-oxido-2-(3-thienyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C13H6BrClN4OS MolecularWeight: 381.63494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N3C(=C(C(=N3)C4=CSC=C4)Br)N=[N+]2[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)N3C(=C(C(=N3)C4=CSC=C4)Br)N=[N+]2[O-]

InChI

InChI=1S/C13H6BrClN4OS/c14-11-12(7-3-4-21-6-7)16-18-10-5-8(15)1-2-9(10)19(20)17-13(11)18/h1-6H