S-[4-[2-[5-nitro-6-(2-phenylethynyl)pyridin-3-yl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[5-nitro-6-(2-phenylethynyl)pyridin-3-yl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[5-nitro-6-(2-phenylethynyl)-3-pyridyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[5-nitro-6-(2-phenylethynyl)-3-pyridinyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[5-nitro-6-(2-phenylethynyl)pyridin-3-yl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[5-nitro-6-(2-phenylethynyl)-3-pyridyl]ethynyl]phenyl] ester Formula: C23H14N2O3S MolecularWeight: 398.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=C(N=C2)C#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=C(N=C2)C#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H14N2O3S/c1-17(26)29-21-12-9-19(10-13-21)7-8-20-15-23(25(27)28)22(24-16-20)14-11-18-5-3-2-4-6-18/h2-6,9-10,12-13,15-16H,1H3