2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[5-(3-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[5-(3-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-4-25(5-2)19(27)14-28-21-24-23-20(16-7-6-8-17(22)13-16)26(21)18-11-9-15(3)10-12-18/h6-13H,4-5,14H2,1-3H3