5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide Openeye Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide CAS Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-propylpentanamide IUPAC Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylpentanamide Traditional Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-propyl-valeramide Formula: C22H24Cl2N4OS MolecularWeight: 463.42316

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CCCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H24Cl2N4OS/c1-2-13-25-20(29)10-6-7-14-30-22-27-26-21(16-8-4-3-5-9-16)28(22)17-11-12-18(23)19(24)15-17/h3-5,8-9,11-12,15H,2,6-7,10,13-14H2,1H3,(H,25,29)