5-chloranyl-N-(3-ethynylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-ethynylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3-ethynylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3-ethynylphenyl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-ethynylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3-ethynylphenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C14H10ClN3OS MolecularWeight: 303.7667

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC(=C2)C#C)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC(=C2)C#C)Cl

InChI

InChI=1S/C14H10ClN3OS/c1-3-9-5-4-6-10(7-9)17-13(19)12-11(15)8-16-14(18-12)20-2/h1,4-8H,2H3,(H,17,19)