[4-[1-(4-pyridin-3-ylcarbonyloxyphenyl)sulfanylpropylsulfanyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[1-(4-pyridin-3-ylcarbonyloxyphenyl)sulfanylpropylsulfanyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[1-[4-(pyridine-3-carbonyloxy)phenyl]sulfanylpropylsulfanyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[1-[[4-[oxo(3-pyridinyl)methoxy]phenyl]thio]propylthio]phenyl] ester IUPAC Name: [4-[1-[4-(pyridine-3-carbonyloxy)phenyl]sulfanylpropylsulfanyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[1-[(4-nicotinoyloxyphenyl)thio]propylthio]phenyl] ester Formula: C27H22N2O4S2 MolecularWeight: 502.60458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(SC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2)SC3=CC=C(C=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CCC(SC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2)SC3=CC=C(C=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H22N2O4S2/c1-2-25(34-23-11-7-21(8-12-23)32-26(30)19-5-3-15-28-17-19)35-24-13-9-22(10-14-24)33-27(31)20-6-4-16-29-18-20/h3-18,25H,2H2,1H3