methyl 2-methylsulfanyl-4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: methyl 2-methylsulfanyl-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: methyl 2-methylsulfanyl-4-(1,2,4-triazol-1-yl)benzoate CAS Name: 2-(methylthio)-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 2-(methylthio)-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N2C=NC=N2)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N2C=NC=N2)SC

InChI

InChI=1S/C11H11N3O2S/c1-16-11(15)9-4-3-8(5-10(9)17-2)14-7-12-6-13-14/h3-7H,1-2H3