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

Systemtic Name: methyl 3-chloranyl-5-[(4-ethyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoate Openeye Name: methyl 3-chloro-5-[(4-ethyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoate CAS Name: 3-chloro-5-[[4-ethyl-3-(methylthio)-5-oxo-1,2,4-triazol-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-[(4-ethyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoate Traditional Name: 3-chloro-5-[[4-ethyl-5-keto-3-(methylthio)-1,2,4-triazol-1-yl]methyl]benzoic acid methyl ester Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)CC2=CC(=CC(=C2)C(=O)OC)Cl)SC

Isomeric SMILES

CCN1C(=NN(C1=O)CC2=CC(=CC(=C2)C(=O)OC)Cl)SC

InChI

InChI=1S/C14H16ClN3O3S/c1-4-17-13(22-3)16-18(14(17)20)8-9-5-10(12(19)21-2)7-11(15)6-9/h5-7H,4,8H2,1-3H3