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

Systemtic Name: N-[[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-ethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-ethyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-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=C3)C

Isomeric SMILES

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

InChI

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