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

Systemtic Name: methyl 3-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCCC(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCCC(=O)OC

InChI

InChI=1S/C12H15N3O3S/c1-8-9(4-6-18-8)11-13-14-12(15(11)2)19-7-5-10(16)17-3/h4,6H,5,7H2,1-3H3