3-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-iodophenyl)propanamide

Systemtic Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-iodophenyl)propanamide Openeye Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(4-iodophenyl)propanamide IUPAC Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-iodophenyl)propanamide Traditional Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(4-iodophenyl)propionamide Formula: C28H22IN3O2S MolecularWeight: 591.46265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C28H22IN3O2S/c1-34-23-13-7-19(8-14-23)24-17-26(20-5-3-2-4-6-20)32-28(25(24)18-30)35-16-15-27(33)31-22-11-9-21(29)10-12-22/h2-14,17H,15-16H2,1H3,(H,31,33)