[4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentylbenzoate

Systemtic Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentylbenzoate Openeye Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[2-(pentylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-[2-(amylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

InChI

InChI=1S/C27H34N2O2S/c1-3-5-7-10-22-11-13-23(14-12-22)26(30)31-25-17-15-24(16-18-25)29-20-9-19-28-27(29)32-21-8-6-4-2/h9,11-19H,3-8,10,20-21H2,1-2H3