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

Systemtic Name: N-[[4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-ethyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-ethyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-ethyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-4-25-19(13-22-20(26)17-8-10-18(27-3)11-9-17)23-24-21(25)28-14-16-7-5-6-15(2)12-16/h5-12H,4,13-14H2,1-3H3,(H,22,26)