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

Systemtic Name: 4-ethyl-3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[3-(4-methoxyphenyl)propyl]-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O2S/c1-3-25-21(11-7-8-18-12-14-19(26-2)15-13-18)23-24-22(25)28-17-16-27-20-9-5-4-6-10-20/h4-6,9-10,12-15H,3,7-8,11,16-17H2,1-2H3