4-(3-ethynylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 4-(3-ethynylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 4-(3-ethynylphenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: 4-(3-ethynylphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: 4-(3-ethynylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: 4-(3-ethynylphenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

Isomeric SMILES

C#CC1=CC(=CC=C1)C2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C20H15N3OS/c1-2-14-4-3-5-16(12-14)17-8-11-23-20(18(17)19(21)24)25-13-15-6-9-22-10-7-15/h1,3-12H,13H2,(H2,21,24)