3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(4-phenylbutylthio)-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(4-phenylbutylthio)-1,2,4-triazole Formula: C25H24ClN3OS MolecularWeight: 449.99556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCCCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCCCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClN3OS/c1-30-23-16-6-5-15-22(23)29-24(20-13-9-14-21(26)18-20)27-28-25(29)31-17-8-7-12-19-10-3-2-4-11-19/h2-6,9-11,13-16,18H,7-8,12,17H2,1H3