3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-3-16-26-22(11-7-8-19-12-14-20(27-2)15-13-19)24-25-23(26)29-18-17-28-21-9-5-4-6-10-21/h3-6,9-10,12-15H,1,7-8,11,16-18H2,2H3