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

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-pentanamide Openeye Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-pentanamide CAS Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-hexylpentanamide IUPAC Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylpentanamide Traditional Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-hexyl-valeramide Formula: C25H30Cl2N4OS MolecularWeight: 505.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30Cl2N4OS/c1-2-3-4-9-16-28-23(32)13-8-10-17-33-25-30-29-24(19-11-6-5-7-12-19)31(25)20-14-15-21(26)22(27)18-20/h5-7,11-12,14-15,18H,2-4,8-10,13,16-17H2,1H3,(H,28,32)