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

Systemtic Name: ethyl 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=CN3C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=CN3C

InChI

InChI=1S/C15H15N3O3S/c1-3-20-14(19)13-11(8-22-15-17-16-9-18(15)2)10-6-4-5-7-12(10)21-13/h4-7,9H,3,8H2,1-2H3