1-[(4R)-6-(4-methylphenyl)-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[(4R)-6-(4-methylphenyl)-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[(4R)-4-(3-allyloxyphenyl)-6-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[(4R)-6-(4-methylphenyl)-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[(4R)-6-(4-methylphenyl)-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[(4R)-4-(3-allyloxyphenyl)-6-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC(=CC=C3)OCC=C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([C@H](NC(=S)N2)C3=CC(=CC=C3)OCC=C)C(=O)C

InChI

InChI=1S/C22H22N2O2S/c1-4-12-26-18-7-5-6-17(13-18)21-19(15(3)25)20(23-22(27)24-21)16-10-8-14(2)9-11-16/h4-11,13,21H,1,12H2,2-3H3,(H2,23,24,27)/t21-/m1/s1