(6E)-2-cyclopentylsulfanyl-5,5-dimethyl-6-(phenylmethylidene)-1H-pyrimidin-4-one

Systemtic Name: (6E)-2-cyclopentylsulfanyl-5,5-dimethyl-6-(phenylmethylidene)-1H-pyrimidin-4-one Openeye Name: (6E)-6-benzylidene-2-cyclopentylsulfanyl-5,5-dimethyl-1H-pyrimidin-4-one CAS Name: (6E)-2-(cyclopentylthio)-5,5-dimethyl-6-(phenylmethylene)-1H-pyrimidin-4-one IUPAC Name: (6E)-6-benzylidene-2-cyclopentylsulfanyl-5,5-dimethyl-1H-pyrimidin-4-one Traditional Name: (6E)-6-benzal-2-(cyclopentylthio)-5,5-dimethyl-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=CC=CC=C2)NC(=NC1=O)SC3CCCC3)C

Isomeric SMILES

CC1(/C(=C\C2=CC=CC=C2)/NC(=NC1=O)SC3CCCC3)C

InChI

InChI=1S/C18H22N2OS/c1-18(2)15(12-13-8-4-3-5-9-13)19-17(20-16(18)21)22-14-10-6-7-11-14/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,19,20,21)/b15-12+