[4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-propylbenzoate

Systemtic Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-propylbenzoate Openeye Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[2-(octylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[2-(octylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C28H36N2O2S MolecularWeight: 464.66264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=CCN1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCSC1=NC=CCN1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C28H36N2O2S/c1-3-5-6-7-8-9-22-33-28-29-20-10-21-30(28)25-16-18-26(19-17-25)32-27(31)24-14-12-23(11-4-2)13-15-24/h10,12-20H,3-9,11,21-22H2,1-2H3