N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-morpholino-phenyl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-[3-chloro-4-(4-morpholinyl)phenyl]-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-morpholin-4-ylphenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-morpholino-phenyl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C17H17ClN4O4S MolecularWeight: 408.85928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O4S/c18-14-9-12(1-3-15(14)21-5-7-26-8-6-21)20-16(23)11-27-17-4-2-13(10-19-17)22(24)25/h1-4,9-10H,5-8,11H2,(H,20,23)