(2R)-2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]-N-(3-nitrophenyl)propionamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC(C)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)S[C@H](C)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H22N4O3S/c1-18-11-13-21(14-12-18)26-16-24(20-7-4-3-5-8-20)25(17-29)28(31-26)36-19(2)27(33)30-22-9-6-10-23(15-22)32(34)35/h3-16,19H,1-2H3,(H,30,33)/t19-/m1/s1