3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-(2-butoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-(2-butoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-butoxy-5-chloro-phenyl)methylsulfanyl]-5-(2-butoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2-butoxy-5-chlorophenyl)methylthio]-5-(2-butoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-butoxy-5-chlorophenyl)methylsulfanyl]-5-(2-butoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2-butoxy-5-chloro-benzyl)thio]-5-(2-butoxyphenyl)-1H-1,2,4-triazole Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3=CC=CC=C3OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3=CC=CC=C3OCCCC

InChI

InChI=1S/C23H28ClN3O2S/c1-3-5-13-28-20-12-11-18(24)15-17(20)16-30-23-25-22(26-27-23)19-9-7-8-10-21(19)29-14-6-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,25,26,27)