ethyl 3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=NC=C4

InChI

InChI=1S/C22H22N4O3S/c1-3-13-26-20(15-9-11-23-12-10-15)24-25-22(26)30-14-17-16-7-5-6-8-18(16)29-19(17)21(27)28-4-2/h5-12H,3-4,13-14H2,1-2H3