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

Systemtic Name: N-butyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-butyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-butyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-butyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-butyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C23H26Cl2N4OS MolecularWeight: 477.44974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N4OS/c1-2-3-14-26-21(30)11-7-8-15-31-23-28-27-22(17-9-5-4-6-10-17)29(23)18-12-13-19(24)20(25)16-18/h4-6,9-10,12-13,16H,2-3,7-8,11,14-15H2,1H3,(H,26,30)