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

Systemtic Name: 3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-butoxy-5-chloro-phenyl)methylsulfanyl]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-butoxy-5-chlorophenyl)methylthio]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-butoxy-5-chlorophenyl)methylsulfanyl]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-butoxy-5-chloro-benzyl)thio]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C29H32ClN3O2S MolecularWeight: 522.10128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OCCCC

InChI

InChI=1S/C29H32ClN3O2S/c1-3-5-18-34-26-15-12-22(13-16-26)28-31-32-29(33(28)25-10-8-7-9-11-25)36-21-23-20-24(30)14-17-27(23)35-19-6-4-2/h7-17,20H,3-6,18-19,21H2,1-2H3