S-[4-[2-(3-phenoxyphenyl)propanoylsulfanyl]phenyl] pyridine-3-carbothioate

Systemtic Name: S-[4-[2-(3-phenoxyphenyl)propanoylsulfanyl]phenyl] pyridine-3-carbothioate Openeye Name: S-[4-[2-(3-phenoxyphenyl)propanoylsulfanyl]phenyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[4-[[1-oxo-2-(3-phenoxyphenyl)propyl]thio]phenyl] ester IUPAC Name: S-[4-[2-(3-phenoxyphenyl)propanoylsulfanyl]phenyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[4-[2-(3-phenoxyphenyl)propanoylthio]phenyl] ester Formula: C27H21NO3S2 MolecularWeight: 471.59054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)SC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)SC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H21NO3S2/c1-19(20-7-5-11-23(17-20)31-22-9-3-2-4-10-22)26(29)32-24-12-14-25(15-13-24)33-27(30)21-8-6-16-28-18-21/h2-19H,1H3