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

Systemtic Name: methyl 3-[2-(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfanyl-benzoate Openeye Name: methyl 3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfanyl-benzoate CAS Name: 3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfanylbenzoate Traditional Name: 3-[2-(5-keto-3,4-dimethyl-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-(methylthio)benzoic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCCN2C(=O)N(C(=N2)C)C)SC)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1OCCN2C(=O)N(C(=N2)C)C)SC)C(=O)OC

InChI

InChI=1S/C16H21N3O4S/c1-10-12(15(20)22-4)6-7-13(24-5)14(10)23-9-8-19-16(21)18(3)11(2)17-19/h6-7H,8-9H2,1-5H3