S-[4-[2-[2-nitro-4-(2-thiophen-3-ylethynyl)phenyl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[2-nitro-4-(2-thiophen-3-ylethynyl)phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[2-nitro-4-[2-(3-thienyl)ethynyl]phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[2-nitro-4-[2-(3-thiophenyl)ethynyl]phenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[2-nitro-4-(2-thiophen-3-ylethynyl)phenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[2-nitro-4-[2-(3-thienyl)ethynyl]phenyl]ethynyl]phenyl] ester Formula: C22H13NO3S2 MolecularWeight: 403.47352

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13NO3S2/c1-16(24)28-21-10-6-17(7-11-21)4-8-20-9-5-18(14-22(20)23(25)26)2-3-19-12-13-27-15-19/h5-7,9-15H,1H3