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

Systemtic Name: 2-[4-[4-[(E)-2-phenylethenyl]phenoxy]butylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-[4-[(E)-styryl]phenoxy]butylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[4-[4-[(E)-2-phenylethenyl]phenoxy]butylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[4-[4-[(E)-2-phenylethenyl]phenoxy]butylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-[4-[(E)-styryl]phenoxy]butylthio]-1H-pyrimidin-6-one Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)OCCCCSC3=NC=CC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCCCSC3=NC=CC(=O)N3

InChI

InChI=1S/C22H22N2O2S/c25-21-14-15-23-22(24-21)27-17-5-4-16-26-20-12-10-19(11-13-20)9-8-18-6-2-1-3-7-18/h1-3,6-15H,4-5,16-17H2,(H,23,24,25)/b9-8+