[(3-methylsulfanyl-1,2,4-triazol-1-yl)-phenyl-methyl] ethanoate

Systemtic Name: [(3-methylsulfanyl-1,2,4-triazol-1-yl)-phenyl-methyl] ethanoate Openeye Name: [(3-methylsulfanyl-1,2,4-triazol-1-yl)-phenyl-methyl] acetate CAS Name: acetic acid [[3-(methylthio)-1,2,4-triazol-1-yl]-phenylmethyl] ester IUPAC Name: [(3-methylsulfanyl-1,2,4-triazol-1-yl)-phenylmethyl] acetate Traditional Name: acetic acid [[3-(methylthio)-1,2,4-triazol-1-yl]-phenyl-methyl] ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)N2C=NC(=N2)SC

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)N2C=NC(=N2)SC

InChI

InChI=1S/C12H13N3O2S/c1-9(16)17-11(10-6-4-3-5-7-10)15-8-13-12(14-15)18-2/h3-8,11H,1-2H3