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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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