2-(4-methoxyphenyl)-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N5O4S/c1-24-18(12-21-19(26)11-14-5-9-17(29-2)10-6-14)22-23-20(24)30-13-15-3-7-16(8-4-15)25(27)28/h3-10H,11-13H2,1-2H3,(H,21,26)