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

Systemtic Name: thiophen-2-ylmethyl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 2-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 thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-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 2-thenyl ester Formula: C15H9ClN4O3S MolecularWeight: 360.77496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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