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

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C26H22ClN5O3S MolecularWeight: 520.00258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClN5O3S/c27-21-15-20(32(34)35)11-12-22(21)28-13-14-29-25(33)17-36-26-30-23(18-7-3-1-4-8-18)16-24(31-26)19-9-5-2-6-10-19/h1-12,15-16,28H,13-14,17H2,(H,29,33)