3-(1-benzofuran-2-yl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzofuran-2-yl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[2-(4-methoxyphenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzofuran-2-yl)-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazole Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N3O3S/c1-3-12-25-21(20-15-16-6-4-5-7-19(16)28-20)23-24-22(25)29-14-13-27-18-10-8-17(26-2)9-11-18/h3-11,15H,1,12-14H2,2H3