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

Systemtic Name: ethyl 5-bromanyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-bromo-coumarilic acid ethyl ester Formula: C23H20BrN3O3S MolecularWeight: 498.3922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3O3S/c1-3-12-27-21(15-8-6-5-7-9-15)25-26-23(27)31-14-18-17-13-16(24)10-11-19(17)30-20(18)22(28)29-4-2/h3,5-11,13H,1,4,12,14H2,2H3