3-(1-benzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzofuran-2-yl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O2S/c1-2-12-24-20(19-15-16-8-6-7-11-18(16)26-19)22-23-21(24)27-14-13-25-17-9-4-3-5-10-17/h2-11,15H,1,12-14H2