ethyl 3-[(5-oxidanylidene-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(5-oxidanylidene-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-keto-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]methyl]coumarilic acid ethyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=C(OC5=CC=CC=C54)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=C(OC5=CC=CC=C54)C(=O)OCC

InChI

InChI=1S/C24H22N4O4S/c1-3-13-27-21(29)16-10-5-7-11-18(16)28-23(27)25-26-24(28)33-14-17-15-9-6-8-12-19(15)32-20(17)22(30)31-4-2/h5-12H,3-4,13-14H2,1-2H3