N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN5O4S/c1-14-11-20(29)26(15-5-3-2-4-6-15)21(25-14)32-13-19(28)24-10-9-23-18-8-7-16(27(30)31)12-17(18)22/h2-8,11-12,23H,9-10,13H2,1H3,(H,24,28)