S-[4-[2-[2-nitro-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[2-nitro-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[2-nitro-4-[2-(4-pyridyl)ethynyl]phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[2-nitro-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[2-nitro-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[2-nitro-4-[2-(4-pyridyl)ethynyl]phenyl]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=C(C=C(C=C2)C#CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H14N2O3S/c1-17(26)29-22-10-6-18(7-11-22)4-8-21-9-5-20(16-23(21)25(27)28)3-2-19-12-14-24-15-13-19/h5-7,9-16H,1H3