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

Systemtic Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-N-phenethyl-pentanamide Openeye Name: N-[(3-chlorophenyl)methylsulfanyl]-N-phenethyl-4-[4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]pentanamide CAS Name: N-[(3-chlorophenyl)methylthio]-4-[4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-N-phenethylpentanamide IUPAC Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-N-phenethylpentanamide Traditional Name: N-[(3-chlorobenzyl)thio]-N-phenethyl-4-[4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]valeramide Formula: C27H33ClN4O2S MolecularWeight: 513.09452

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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=CN3CC4CCCO4

Isomeric SMILES

CC(CCC(=O)N(CCC1=CC=CC=C1)SCC2=CC(=CC=C2)Cl)C3=NN=CN3CC4CCCO4

InChI

InChI=1S/C27H33ClN4O2S/c1-21(27-30-29-20-31(27)18-25-11-6-16-34-25)12-13-26(33)32(15-14-22-7-3-2-4-8-22)35-19-23-9-5-10-24(28)17-23/h2-5,7-10,17,20-21,25H,6,11-16,18-19H2,1H3