N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide

Systemtic Name: N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[5-(butylthio)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[5-(butylthio)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C21H22Cl2N4OS MolecularWeight: 449.39658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22Cl2N4OS/c1-2-3-11-29-21-26-25-19(27(21)16-9-10-17(22)18(23)13-16)14-24-20(28)12-15-7-5-4-6-8-15/h4-10,13H,2-3,11-12,14H2,1H3,(H,24,28)