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

Systemtic Name: 4-[[4-oxidanylidene-2-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 4-[[4-oxo-2-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzonitrile IUPAC Name: 4-[(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 4-[[2-(benzylthio)-4-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzonitrile Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N(C2=O)CC3=CC=C(C=C3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)CC3=CC=C(C=C3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3OS/c23-13-16-9-11-17(12-10-16)14-25-21(26)19-7-4-8-20(19)24-22(25)27-15-18-5-2-1-3-6-18/h1-3,5-6,9-12H,4,7-8,14-15H2