N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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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=NC=NN3

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C18H17N5O5S/c1-2-27-14-3-5-15(6-4-14)28-16-8-12(7-13(9-16)23(25)26)21-17(24)10-29-18-19-11-20-22-18/h3-9,11H,2,10H2,1H3,(H,21,24)(H,19,20,22)