N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C17H20ClN5O3S MolecularWeight: 409.8904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H20ClN5O3S/c1-11-8-12(2)22-17(21-11)27-10-16(24)20-7-3-6-19-15-5-4-13(23(25)26)9-14(15)18/h4-5,8-9,19H,3,6-7,10H2,1-2H3,(H,20,24)