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

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN5O3S/c1-14-11-19(15-5-3-2-4-6-15)26-21(25-14)31-13-20(28)24-10-9-23-18-8-7-16(27(29)30)12-17(18)22/h2-8,11-12,23H,9-10,13H2,1H3,(H,24,28)