ethyl 2-phenyl-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-phenyl-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-phenyl-5-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzofuran-3-carboxylate CAS Name: 2-phenyl-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-benzofuran-3-carboxylate Traditional Name: 2-phenyl-5-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzofuran-3-carboxylic acid ethyl ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4S/c1-2-31-25(30)23-20-15-19(13-14-21(20)33-24(23)17-9-5-3-6-10-17)32-16-22-27-28-26(34)29(22)18-11-7-4-8-12-18/h3-15H,2,16H2,1H3,(H,28,34)