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

Systemtic Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-phenethyl-pentanamide Openeye Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-phenethyl-pentanamide CAS Name: N-[(3-chlorophenyl)methylthio]-4-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-phenethylpentanamide IUPAC Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-phenethylpentanamide Traditional Name: N-[(3-chlorobenzyl)thio]-4-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-phenethyl-valeramide Formula: C26H33ClN4O2S MolecularWeight: 501.08382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N(CCC1=CC=CC=C1)SCC2=CC(=CC=C2)Cl)C3=NN=CN3CCCOC

Isomeric SMILES

CC(CCC(=O)N(CCC1=CC=CC=C1)SCC2=CC(=CC=C2)Cl)C3=NN=CN3CCCOC

InChI

InChI=1S/C26H33ClN4O2S/c1-21(26-29-28-20-30(26)15-7-17-33-2)12-13-25(32)31(16-14-22-8-4-3-5-9-22)34-19-23-10-6-11-24(27)18-23/h3-6,8-11,18,20-21H,7,12-17,19H2,1-2H3