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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C32H30N4O3S MolecularWeight: 550.6706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C32H30N4O3S/c1-20-11-16-25(17-29(20)36(38)39)34-30(37)21(2)40-31-27(19-33)26(18-28(35-31)23-9-7-6-8-10-23)22-12-14-24(15-13-22)32(3,4)5/h6-18,21H,1-5H3,(H,34,37)