N-(5-chloranylpyridin-2-yl)-3-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-3-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(5-chloro-2-pyridyl)-3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-(5-chloro-2-pyridinyl)-3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-3-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanamide Traditional Name: N-(5-chloro-2-pyridyl)-3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]propionamide Formula: C27H21ClN4O2S MolecularWeight: 500.99924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O2S/c1-34-21-10-7-18(8-11-21)22-15-24(19-5-3-2-4-6-19)31-27(23(22)16-29)35-14-13-26(33)32-25-12-9-20(28)17-30-25/h2-12,15,17H,13-14H2,1H3,(H,30,32,33)