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

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C16H18ClN5O3S MolecularWeight: 395.86382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H18ClN5O3S/c1-10-7-11(2)21-16(20-10)26-9-15(23)19-6-5-18-14-4-3-12(22(24)25)8-13(14)17/h3-4,7-8,18H,5-6,9H2,1-2H3,(H,19,23)