5-(3-chlorophenyl)-2-ethynylsulfanyl-pyrimidine

Systemtic Name: 5-(3-chlorophenyl)-2-ethynylsulfanyl-pyrimidine Openeye Name: 5-(3-chlorophenyl)-2-ethynylsulfanyl-pyrimidine CAS Name: 5-(3-chlorophenyl)-2-(ethynylthio)pyrimidine IUPAC Name: 5-(3-chlorophenyl)-2-ethynylsulfanylpyrimidine Traditional Name: 5-(3-chlorophenyl)-2-(ethynylthio)pyrimidine Formula: C12H7ClN2S MolecularWeight: 246.71538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7ClN2S/c1-2-16-12-14-7-10(8-15-12)9-4-3-5-11(13)6-9/h1,3-8H