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

Systemtic Name: N-[[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide Openeye Name: N-[[4-ethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide CAS Name: N-[[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide IUPAC Name: N-[[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide Traditional Name: N-[[4-ethyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-4-25-19(13-22-20(26)18-8-6-5-7-16(18)3)23-24-21(25)27-14-17-11-9-15(2)10-12-17/h5-12H,4,13-14H2,1-3H3,(H,22,26)