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

Systemtic Name: N-[(3-chlorophenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-pentanamide Openeye Name: N-[(3-chlorophenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-pentanamide CAS Name: N-[(3-chlorophenyl)methylthio]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propylpentanamide IUPAC Name: N-[(3-chlorophenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propylpentanamide Traditional Name: N-[(3-chlorobenzyl)thio]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-valeramide Formula: C25H31ClN4OS MolecularWeight: 471.05784

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)CCC(C)C1=NN=CN1CCC2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCN(C(=O)CCC(C)C1=NN=CN1CCC2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H31ClN4OS/c1-3-15-30(32-18-22-10-7-11-23(26)17-22)24(31)13-12-20(2)25-28-27-19-29(25)16-14-21-8-5-4-6-9-21/h4-11,17,19-20H,3,12-16,18H2,1-2H3