methyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)C2=CN=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)C2=CN=CC=C2

InChI

InChI=1S/C11H12N4O2S/c1-15-10(8-4-3-5-12-6-8)13-14-11(15)18-7-9(16)17-2/h3-6H,7H2,1-2H3