N-(2-bromanyl-4-nitro-phenyl)-2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]thio]acetamide Formula: C30H25BrN4O3S MolecularWeight: 601.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C4=CC=CC=C4

InChI

InChI=1S/C30H25BrN4O3S/c1-30(2,3)21-11-9-19(10-12-21)23-16-27(20-7-5-4-6-8-20)34-29(24(23)17-32)39-18-28(36)33-26-14-13-22(35(37)38)15-25(26)31/h4-16H,18H2,1-3H3,(H,33,36)