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

Systemtic Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O2S/c1-24-20(10-6-7-17-11-13-18(25-2)14-12-17)22-23-21(24)27-16-15-26-19-8-4-3-5-9-19/h3-5,8-9,11-14H,6-7,10,15-16H2,1-2H3