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

Systemtic Name: ethyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4CCCCC4)C

InChI

InChI=1S/C21H25N3O3S/c1-3-26-20(25)19-17(16-11-7-8-12-18(16)27-19)13-28-21-23-22-14(2)24(21)15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3