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

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile CAS Name: 2-[4-oxo-2-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetonitrile IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-[2-(benzylthio)-4-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N(C2=O)CC#N)SCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)CC#N)SCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c17-9-10-19-15(20)13-7-4-8-14(13)18-16(19)21-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-8,10-11H2