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

Systemtic Name: ethyl 3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCN1C=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C16H17N3O3S/c1-3-19-10-17-18-16(19)23-9-12-11-7-5-6-8-13(11)22-14(12)15(20)21-4-2/h5-8,10H,3-4,9H2,1-2H3