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

Systemtic Name: (phenylmethyl) 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C16H15N3O3S/c1-19-15(13-8-5-9-21-13)17-18-16(19)23-11-14(20)22-10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3