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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Openeye Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(3-nitrophenyl)propionamide Formula: C31H28N4O3S MolecularWeight: 536.64402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C#N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C#N

InChI

InChI=1S/C31H28N4O3S/c1-20(29(36)33-24-11-8-12-25(17-24)35(37)38)39-30-27(19-32)26(18-28(34-30)22-9-6-5-7-10-22)21-13-15-23(16-14-21)31(2,3)4/h5-18,20H,1-4H3,(H,33,36)