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

Systemtic Name: methyl 2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-butyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-butyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-butyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)OC)C2=C(OC=C2)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)OC)C2=C(OC=C2)C

InChI

InChI=1S/C14H19N3O3S/c1-4-5-7-17-13(11-6-8-20-10(11)2)15-16-14(17)21-9-12(18)19-3/h6,8H,4-5,7,9H2,1-3H3