6-methyl-2-[4-[4-[(E)-2-phenylethenyl]phenoxy]butylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[4-[4-[(E)-2-phenylethenyl]phenoxy]butylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[4-[4-[(E)-styryl]phenoxy]butylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[4-[4-[(E)-2-phenylethenyl]phenoxy]butylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[4-[4-[(E)-2-phenylethenyl]phenoxy]butylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[4-[4-[(E)-styryl]phenoxy]butylthio]-1H-pyrimidin-4-one Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCCOC2=CC=C(C=C2)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCCOC2=CC=C(C=C2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O2S/c1-18-17-22(26)25-23(24-18)28-16-6-5-15-27-21-13-11-20(12-14-21)10-9-19-7-3-2-4-8-19/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,24,25,26)/b10-9+