N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C20H18N4O6S MolecularWeight: 442.44512

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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=CC(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C20H18N4O6S/c1-2-29-15-3-5-16(6-4-15)30-17-10-13(9-14(11-17)24(27)28)22-19(26)12-31-20-21-8-7-18(25)23-20/h3-11H,2,12H2,1H3,(H,22,26)(H,21,23,25)