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

Systemtic Name: S-[4-[2-[2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester Formula: C24H15NO3S MolecularWeight: 397.4458

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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=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H15NO3S/c1-18(26)29-23-15-11-20(12-16-23)9-13-22-14-10-21(17-24(22)25(27)28)8-7-19-5-3-2-4-6-19/h2-6,10-12,14-17H,1H3