2-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C23H27ClN4OS MolecularWeight: 443.00468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC=NN1)C(=O)C(CC(C)C2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCN(C1=NC=NN1)C(=O)C(CC(C)C2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN4OS/c1-3-12-28(23-25-16-26-27-23)22(29)21(13-17(2)19-9-5-4-6-10-19)30-15-18-8-7-11-20(24)14-18/h4-11,14,16-17,21H,3,12-13,15H2,1-2H3,(H,25,26,27)