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

Systemtic Name: thiophen-2-yl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 2-thienyl 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 thiophen-2-yl ester IUPAC Name: thiophen-2-yl 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 2-thienyl ester Formula: C14H7ClN4O3S MolecularWeight: 346.74838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)OC(=O)C2=C3N=[N+](C4=C(N3N=C2)C=C(C=C4)Cl)[O-]

Isomeric SMILES

C1=CSC(=C1)OC(=O)C2=C3N=[N+](C4=C(N3N=C2)C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C14H7ClN4O3S/c15-8-3-4-10-11(6-8)18-13(17-19(10)21)9(7-16-18)14(20)22-12-2-1-5-23-12/h1-7H