methyl 3-chloranyl-5-[(4-ethyl-5-methylsulfanyl-3-oxidanylidene-4H-1,2,3-triazol-3-ium-2-yl)methyl]benzoate

Systemtic Name: methyl 3-chloranyl-5-[(4-ethyl-5-methylsulfanyl-3-oxidanylidene-4H-1,2,3-triazol-3-ium-2-yl)methyl]benzoate Openeye Name: methyl 3-chloro-5-[(4-ethyl-5-methylsulfanyl-3-oxo-4H-triazol-3-ium-2-yl)methyl]benzoate CAS Name: 3-chloro-5-[[4-ethyl-5-(methylthio)-3-oxo-4H-triazol-3-ium-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-[(4-ethyl-5-methylsulfanyl-3-oxo-4H-triazol-3-ium-2-yl)methyl]benzoate Traditional Name: 3-chloro-5-[[4-ethyl-3-keto-5-(methylthio)-4H-triazol-3-ium-2-yl]methyl]benzoic acid methyl ester Formula: C14H17ClN3O3S+ MolecularWeight: 342.82108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN([N+]1=O)CC2=CC(=CC(=C2)C(=O)OC)Cl)SC

Isomeric SMILES

CCC1C(=NN([N+]1=O)CC2=CC(=CC(=C2)C(=O)OC)Cl)SC

InChI

InChI=1S/C14H17ClN3O3S/c1-4-12-13(22-3)16-17(18(12)20)8-9-5-10(14(19)21-2)7-11(15)6-9/h5-7,12H,4,8H2,1-3H3/q+1