N-[[4-(2,5-dimethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-(ethylthio)-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:

CCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-5-28-21-24-23-19(25(21)18-12-14(2)6-7-15(18)3)13-22-20(26)16-8-10-17(27-4)11-9-16/h6-12H,5,13H2,1-4H3,(H,22,26)