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

Systemtic Name: 2-[4-[(4R)-5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2S/c1-13(24)17-18(14-5-3-2-4-6-14)22-20(26)23-19(17)15-7-9-16(10-8-15)25-12-11-21/h2-10,19H,12H2,1H3,(H2,22,23,26)/t19-/m1/s1