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

Systemtic Name: thiophen-2-yl 8-methyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 2-thienyl 8-methyl-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-methyl-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid thiophen-2-yl ester IUPAC Name: thiophen-2-yl 8-methyl-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-methyl-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid 2-thienyl ester Formula: C15H10N4O3S MolecularWeight: 326.3299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)OC4=CC=CS4)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)OC4=CC=CS4)[O-]

InChI

InChI=1S/C15H10N4O3S/c1-9-4-5-11-12(7-9)18-14(17-19(11)21)10(8-16-18)15(20)22-13-3-2-6-23-13/h2-8H,1H3