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

Systemtic Name: 8-chloranyl-5-oxidanidyl-3-thiophen-3-yl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 8-chloro-5-oxido-3-(3-thienyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 8-chloro-5-oxido-3-(3-thiophenyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 8-chloro-5-oxido-3-thiophen-3-ylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 8-chloro-5-oxido-3-(3-thienyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C13H7ClN4OS MolecularWeight: 302.73888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7ClN4OS/c14-9-1-2-11-12(5-9)17-13(16-18(11)19)10(6-15-17)8-3-4-20-7-8/h1-7H