5-phenyl-2-prop-2-ynylsulfanyl-pyrimidine

Systemtic Name: 5-phenyl-2-prop-2-ynylsulfanyl-pyrimidine Openeye Name: 5-phenyl-2-prop-2-ynylsulfanyl-pyrimidine CAS Name: 5-phenyl-2-(prop-2-ynylthio)pyrimidine IUPAC Name: 5-phenyl-2-prop-2-ynylsulfanylpyrimidine Traditional Name: 5-phenyl-2-(propargylthio)pyrimidine Formula: C13H10N2S MolecularWeight: 226.2969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2S/c1-2-8-16-13-14-9-12(10-15-13)11-6-4-3-5-7-11/h1,3-7,9-10H,8H2