5-(phenylsulfonyl)-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-(phenylsulfonyl)-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-(benzenesulfonyl)-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-(benzenesulfonyl)-2-(prop-2-ynylthio)-1H-pyrimidin-6-one IUPAC Name: 5-(benzenesulfonyl)-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-besyl-2-(propargylthio)-1H-pyrimidin-6-one Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O3S2/c1-2-8-19-13-14-9-11(12(16)15-13)20(17,18)10-6-4-3-5-7-10/h1,3-7,9H,8H2,(H,14,15,16)