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

Systemtic Name: N-(2-ethylphenyl)-2-[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-methyl-5-[(2-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-methyl-5-[(2-nitrobenzyl)thio]-1,2,4-triazol-3-yl]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-3-14-8-4-6-10-16(14)21-19(26)12-18-22-23-20(24(18)2)29-13-15-9-5-7-11-17(15)25(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,26)