2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3S/c1-3-14-28-23(20-15-18-10-7-11-19(30-2)22(18)31-20)26-27-24(28)32-16-21(29)25-13-12-17-8-5-4-6-9-17/h3-11,15H,1,12-14,16H2,2H3,(H,25,29)