1-[4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-chlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)C

InChI

InChI=1S/C13H13ClN2OS/c1-7-11(8(2)17)12(16-13(18)15-7)9-4-3-5-10(14)6-9/h3-6,12H,1-2H3,(H2,15,16,18)