ethyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-3-26-20(25)18-16(15-11-7-8-12-17(15)27-18)13-28-21-23-22-19(24(21)2)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3