5-[2-(3-methylphenyl)ethynyl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 5-[2-(3-methylphenyl)ethynyl]-2-methylsulfanyl-pyrimidine Openeye Name: 2-methylsulfanyl-5-[2-(m-tolyl)ethynyl]pyrimidine CAS Name: 5-[2-(3-methylphenyl)ethynyl]-2-(methylthio)pyrimidine IUPAC Name: 5-[2-(3-methylphenyl)ethynyl]-2-methylsulfanylpyrimidine Traditional Name: 2-(methylthio)-5-[2-(m-tolyl)ethynyl]pyrimidine Formula: C14H12N2S MolecularWeight: 240.32348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC2=CN=C(N=C2)SC

Isomeric SMILES

CC1=CC=CC(=C1)C#CC2=CN=C(N=C2)SC

InChI

InChI=1S/C14H12N2S/c1-11-4-3-5-12(8-11)6-7-13-9-15-14(17-2)16-10-13/h3-5,8-10H,1-2H3