N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[5-[(4-chlorobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21ClN4OS/c1-3-25-18(12-22-19(26)16-8-4-14(2)5-9-16)23-24-20(25)27-13-15-6-10-17(21)11-7-15/h4-11H,3,12-13H2,1-2H3,(H,22,26)