2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanenitrile

Systemtic Name: 2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanenitrile Openeye Name: 2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetonitrile CAS Name: 2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetonitrile IUPAC Name: 2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetonitrile Traditional Name: 2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3OS/c21-12-13-23-19(24)15-18(17-9-5-2-6-10-17)22-20(23)25-14-11-16-7-3-1-4-8-16/h1-10,15H,11,13-14H2