5-(3-chlorophenyl)-2-prop-2-ynylsulfanyl-pyrimidine

Systemtic Name: 5-(3-chlorophenyl)-2-prop-2-ynylsulfanyl-pyrimidine Openeye Name: 5-(3-chlorophenyl)-2-prop-2-ynylsulfanyl-pyrimidine CAS Name: 5-(3-chlorophenyl)-2-(prop-2-ynylthio)pyrimidine IUPAC Name: 5-(3-chlorophenyl)-2-prop-2-ynylsulfanylpyrimidine Traditional Name: 5-(3-chlorophenyl)-2-(propargylthio)pyrimidine Formula: C13H9ClN2S MolecularWeight: 260.74196

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC=C(C=N1)C2=CC(=CC=C2)Cl

Isomeric SMILES

C#CCSC1=NC=C(C=N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H9ClN2S/c1-2-6-17-13-15-8-11(9-16-13)10-4-3-5-12(14)7-10/h1,3-5,7-9H,6H2