2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanenitrile

Systemtic Name: 2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanenitrile Openeye Name: 2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile CAS Name: 2-[4-oxo-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetonitrile IUPAC Name: 2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-[4-keto-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N(C2=O)CC#N)SCCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)CC#N)SCCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c18-10-11-20-16(21)14-7-4-8-15(14)19-17(20)22-12-9-13-5-2-1-3-6-13/h1-3,5-6H,4,7-9,11-12H2