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

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide Openeye Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide CAS Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propylbutanamide IUPAC Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylbutanamide Traditional Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propyl-butyramide Formula: C21H21Cl3N4OS MolecularWeight: 483.84164

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3Cl

Isomeric SMILES

CCCNC(=O)CCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21Cl3N4OS/c1-2-11-25-19(29)8-5-12-30-21-27-26-20(15-6-3-4-7-16(15)22)28(21)14-9-10-17(23)18(24)13-14/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3,(H,25,29)