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

Systemtic Name: 2-[3-cyano-4-(3-fluorophenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C30H23FN4O2S2 MolecularWeight: 554.657623

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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(=CC=C5)F)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(=CC=C5)F)C#N

InChI

InChI=1S/C30H23FN4O2S2/c1-3-26(28(36)35-30-34-24-13-12-21(37-2)15-27(24)39-30)38-29-23(17-32)22(19-10-7-11-20(31)14-19)16-25(33-29)18-8-5-4-6-9-18/h4-16,26H,3H2,1-2H3,(H,34,35,36)