2-[4-[(4R)-6-(4-chlorophenyl)-5-ethanoyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(4R)-6-(4-chlorophenyl)-5-ethanoyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(4R)-5-acetyl-6-(4-chlorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(4R)-5-acetyl-6-(4-chlorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(4R)-5-acetyl-6-(4-chlorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(4R)-5-acetyl-6-(4-chlorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=C(C=C2)OCC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O2S/c1-12(25)17-18(13-2-6-15(21)7-3-13)23-20(27)24-19(17)14-4-8-16(9-5-14)26-11-10-22/h2-9,19H,11H2,1H3,(H2,23,24,27)/t19-/m1/s1