N-(4-butoxyphenyl)-2-(2,4-dinitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-butoxyphenyl)-2-(2,4-dinitrophenyl)sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-(2,4-dinitrophenyl)sulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-[(2,4-dinitrophenyl)thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-(2,4-dinitrophenyl)sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[(2,4-dinitrophenyl)thio]acetamide Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-2-3-10-27-15-7-4-13(5-8-15)19-18(22)12-28-17-9-6-14(20(23)24)11-16(17)21(25)26/h4-9,11H,2-3,10,12H2,1H3,(H,19,22)