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

Systemtic Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-decylbenzoate Openeye Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [4-[2-(pentylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [4-[2-(amylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C32H44N2O2S MolecularWeight: 520.76896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

InChI

InChI=1S/C32H44N2O2S/c1-3-5-7-8-9-10-11-12-15-27-16-18-28(19-17-27)31(35)36-30-22-20-29(21-23-30)34-25-14-24-33-32(34)37-26-13-6-4-2/h14,16-24H,3-13,15,25-26H2,1-2H3