ethyl 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3S/c1-2-32-26(31)25-21(20-15-9-10-16-22(20)33-25)17-34-27-28-23(18-11-5-3-6-12-18)24(29-30-27)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3