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

Systemtic Name: thiophen-3-ylmethyl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 3-thienylmethyl 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-chloro-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid 3-thiophenylmethyl ester IUPAC Name: thiophen-3-ylmethyl 8-chloro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid 3-thenyl ester Formula: C15H9ClN4O3S MolecularWeight: 360.77496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C(=O)OCC4=CSC=C4)N=[N+]2[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C(=O)OCC4=CSC=C4)N=[N+]2[O-]

InChI

InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2