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

Systemtic Name: 2-[2-[6-phenyl-5-(phenylcarbonyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanenitrile Openeye Name: 2-[2-(5-benzoyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile CAS Name: 2-[2-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile IUPAC Name: 2-[2-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile Traditional Name: 2-[2-(5-benzoyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=CC=C3OCC#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=CC=C3OCC#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O2S/c26-15-16-30-20-14-8-7-13-19(20)23-21(24(29)18-11-5-2-6-12-18)22(27-25(31)28-23)17-9-3-1-4-10-17/h1-14,23H,16H2,(H2,27,28,31)