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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C31H28N4O4S/c1-31(2,3)22-12-10-20(11-13-22)24-17-27(21-8-6-5-7-9-21)34-30(25(24)18-32)40-19-29(36)33-26-15-14-23(39-4)16-28(26)35(37)38/h5-17H,19H2,1-4H3,(H,33,36)