2-[2-(5-butylsulfanylthiophen-2-yl)ethynyl]-5-nitro-thiophene

Systemtic Name: 2-[2-(5-butylsulfanylthiophen-2-yl)ethynyl]-5-nitro-thiophene Openeye Name: 2-[2-(5-butylsulfanyl-2-thienyl)ethynyl]-5-nitro-thiophene CAS Name: 2-[2-[5-(butylthio)-2-thiophenyl]ethynyl]-5-nitrothiophene IUPAC Name: 2-[2-(5-butylsulfanylthiophen-2-yl)ethynyl]-5-nitrothiophene Traditional Name: 2-[2-[5-(butylthio)-2-thienyl]ethynyl]-5-nitro-thiophene Formula: C14H13NO2S3 MolecularWeight: 323.45352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(S1)C#CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC=C(S1)C#CC2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO2S3/c1-2-3-10-18-14-9-7-12(20-14)5-4-11-6-8-13(19-11)15(16)17/h6-9H,2-3,10H2,1H3