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

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide Openeye Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide CAS Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylpentanamide IUPAC Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpentanamide Traditional Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-valeramide Formula: C27H26Cl2N4OS MolecularWeight: 525.49254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H26Cl2N4OS/c28-23-15-14-22(19-24(23)29)33-26(21-11-5-2-6-12-21)31-32-27(33)35-18-8-7-13-25(34)30-17-16-20-9-3-1-4-10-20/h1-6,9-12,14-15,19H,7-8,13,16-18H2,(H,30,34)