2-[[4-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-ethyl-5-(p-anisidinomethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N5O2S/c1-3-25-18(13-21-15-9-11-17(27-2)12-10-15)23-24-20(25)28-14-19(26)22-16-7-5-4-6-8-16/h4-12,21H,3,13-14H2,1-2H3,(H,22,26)