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

Systemtic Name: methyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

InChI

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