methyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Openeye Name: methyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid methyl ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=NN2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=NN2

InChI

InChI=1S/C11H11N3O2S/c1-16-10(15)9-4-2-3-8(5-9)6-17-11-12-7-13-14-11/h2-5,7H,6H2,1H3,(H,12,13,14)