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

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide Openeye Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide Traditional Name: N-[[5-[(4-chlorobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-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=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CC=C3C

InChI

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