2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C31H26N4O2S2 MolecularWeight: 550.69374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C)C#N

InChI

InChI=1S/C31H26N4O2S2/c1-4-27(29(36)35-31-34-25-15-14-22(37-3)16-28(25)39-31)38-30-24(18-32)23(20-12-10-19(2)11-13-20)17-26(33-30)21-8-6-5-7-9-21/h5-17,27H,4H2,1-3H3,(H,34,35,36)