ethyl 3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C18H21N3O4S/c1-3-5-10-21-17(23)19-20-18(21)26-11-13-12-8-6-7-9-14(12)25-15(13)16(22)24-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,19,23)