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

Systemtic Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-butylbenzoate Openeye Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[2-(pentylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[2-(amylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC=CCN1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCSC1=NC=CCN1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C26H32N2O2S/c1-3-5-7-20-31-26-27-18-8-19-28(26)23-14-16-24(17-15-23)30-25(29)22-12-10-21(11-13-22)9-6-4-2/h8,10-18H,3-7,9,19-20H2,1-2H3