2-ethoxyethyl 2-(5-methylsulfanyl-1H-1,2,4-triazol-4-ium-4-yl)ethanoate

Systemtic Name: 2-ethoxyethyl 2-(5-methylsulfanyl-1H-1,2,4-triazol-4-ium-4-yl)ethanoate Openeye Name: 2-ethoxyethyl 2-(5-methylsulfanyl-1H-1,2,4-triazol-4-ium-4-yl)acetate CAS Name: 2-[5-(methylthio)-1H-1,2,4-triazol-4-ium-4-yl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-(5-methylsulfanyl-1H-1,2,4-triazol-4-ium-4-yl)acetate Traditional Name: 2-[5-(methylthio)-1H-1,2,4-triazol-4-ium-4-yl]acetic acid 2-ethoxyethyl ester Formula: C9H16N3O3S+ MolecularWeight: 246.30664

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C[N+]1=C(NN=C1)SC

Isomeric SMILES

CCOCCOC(=O)C[N+]1=C(NN=C1)SC

InChI

InChI=1S/C9H15N3O3S/c1-3-14-4-5-15-8(13)6-12-7-10-11-9(12)16-2/h7H,3-6H2,1-2H3/p+1