N-[[4-(2,6-dimethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide

Systemtic Name: N-[[4-(2,6-dimethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide Openeye Name: N-[[4-(2,6-dimethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide CAS Name: N-[[4-(2,6-dimethoxyphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide IUPAC Name: N-[[4-(2,6-dimethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide Traditional Name: N-[[4-(2,6-dimethoxyphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=C(C=CC=C2OC)OC)CNC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCSC1=NN=C(N1C2=C(C=CC=C2OC)OC)CNC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H24N4O3S/c1-5-29-21-24-23-18(13-22-20(26)15-10-7-6-9-14(15)2)25(21)19-16(27-3)11-8-12-17(19)28-4/h6-12H,5,13H2,1-4H3,(H,22,26)