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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=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)CSC2=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/C31H28N4O3S/c1-20-10-15-24(16-28(20)35(37)38)33-29(36)19-39-30-26(18-32)25(17-27(34-30)22-8-6-5-7-9-22)21-11-13-23(14-12-21)31(2,3)4/h5-17H,19H2,1-4H3,(H,33,36)