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

Systemtic Name: 4-[(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 4-[[4-oxo-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 4-[[4-keto-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

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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)SCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)CC3=CC=C(C=C3)C#N)SCCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c24-15-18-9-11-19(12-10-18)16-26-22(27)20-7-4-8-21(20)25-23(26)28-14-13-17-5-2-1-3-6-17/h1-3,5-6,9-12H,4,7-8,13-14,16H2