5-phenethyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-phenethyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-phenethyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-phenethyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-phenethyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-phenethyl-2-thioxo-1H-pyrimidin-4-one Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CNC(=S)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CNC(=S)NC2=O

InChI

InChI=1S/C12H12N2OS/c15-11-10(8-13-12(16)14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14,15,16)