N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C19H19N5O5S/c1-3-28-15-4-6-16(7-5-15)29-17-9-13(8-14(10-17)24(26)27)21-18(25)11-30-19-22-20-12-23(19)2/h4-10,12H,3,11H2,1-2H3,(H,21,25)