N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-fluorophenyl)methyl]pentanamide

Systemtic Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-fluorophenyl)methyl]pentanamide Openeye Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-fluorophenyl)methyl]pentanamide CAS Name: N-[(3-chlorophenyl)methylthio]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-fluorophenyl)methyl]pentanamide IUPAC Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-fluorophenyl)methyl]pentanamide Traditional Name: N-[(3-chlorobenzyl)thio]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-(4-fluorobenzyl)valeramide Formula: C27H25Cl2FN4OS MolecularWeight: 543.483003

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N(CC1=CC=C(C=C1)F)SCC2=CC(=CC=C2)Cl)C3=NN=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(CCC(=O)N(CC1=CC=C(C=C1)F)SCC2=CC(=CC=C2)Cl)C3=NN=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H25Cl2FN4OS/c1-19(27-32-31-18-33(27)25-7-3-6-23(29)15-25)8-13-26(35)34(16-20-9-11-24(30)12-10-20)36-17-21-4-2-5-22(28)14-21/h2-7,9-12,14-15,18-19H,8,13,16-17H2,1H3