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

Systemtic Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-heptylbenzoate Openeye Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[2-(pentylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-[2-(amylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C29H38N2O2S MolecularWeight: 478.68922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

InChI

InChI=1S/C29H38N2O2S/c1-3-5-7-8-9-12-24-13-15-25(16-14-24)28(32)33-27-19-17-26(18-20-27)31-22-11-21-30-29(31)34-23-10-6-4-2/h11,13-21H,3-10,12,22-23H2,1-2H3