1-(4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)ethanone

Systemtic Name: 1-(4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)ethanone Openeye Name: 1-(4-methylene-6-phenyl-2-thioxo-hexahydropyrimidin-5-yl)ethanone CAS Name: 1-(4-methylene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)ethanone IUPAC Name: 1-(4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)ethanone Traditional Name: 1-(4-methylene-6-phenyl-2-thioxo-hexahydropyrimidin-5-yl)ethanone Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2OS/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,11-12H,1H2,2H3,(H2,14,15,17)