[4-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[2-(4-isobutylphenyl)propanoylsulfanyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]thio]phenyl] ester IUPAC Name: [4-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[2-(4-isobutylphenyl)propanoylthio]phenyl] ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H25NO3S/c1-17(2)15-19-6-8-20(9-7-19)18(3)25(28)30-23-12-10-22(11-13-23)29-24(27)21-5-4-14-26-16-21/h4-14,16-18H,15H2,1-3H3