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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]acetamide Formula: C27H19BrN4O3S MolecularWeight: 559.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H19BrN4O3S/c1-17-7-9-18(10-8-17)21-14-25(19-5-3-2-4-6-19)31-27(22(21)15-29)36-16-26(33)30-24-12-11-20(32(34)35)13-23(24)28/h2-14H,16H2,1H3,(H,30,33)