ethyl 8-methylsulfanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate

Systemtic Name: ethyl 8-methylsulfanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 8-methylsulfanyl-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-(methylthio)-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-methylsulfanyl-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-(methylthio)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)SC)[O-]

Isomeric SMILES

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)SC)[O-]

InChI

InChI=1S/C13H12N4O3S/c1-3-20-13(18)9-7-14-16-11-6-8(21-2)4-5-10(11)17(19)15-12(9)16/h4-7H,3H2,1-2H3