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

Systemtic Name: 3-(1-benzofuran-2-yl)-4-(3-methoxypropyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-(3-methoxypropyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-4-(3-methoxypropyl)-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-4-(3-methoxypropyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-(3-methoxypropyl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COCCCN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O3S/c1-26-13-7-12-25-21(20-16-17-8-5-6-11-19(17)28-20)23-24-22(25)29-15-14-27-18-9-3-2-4-10-18/h2-6,8-11,16H,7,12-15H2,1H3