N-(2-chloranyl-4-nitro-phenyl)-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-phenyl-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-phenyl-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C21H19ClN4O3S/c1-12-13(2)23-21(24-14(12)3)30-19(15-7-5-4-6-8-15)20(27)25-18-10-9-16(26(28)29)11-17(18)22/h4-11,19H,1-3H3,(H,25,27)