4-cyano-5-propylsulfanyl-3-thiophen-2-yl-thiophene-2-carboxylate

Systemtic Name: 4-cyano-5-propylsulfanyl-3-thiophen-2-yl-thiophene-2-carboxylate Openeye Name: 4-cyano-5-propylsulfanyl-3-(2-thienyl)thiophene-2-carboxylate CAS Name: 4-cyano-5-(propylthio)-3-thiophen-2-yl-2-thiophenecarboxylate IUPAC Name: 4-cyano-5-propylsulfanyl-3-thiophen-2-ylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(propylthio)-3-(2-thienyl)-2-thenoate Formula: C13H10NO2S3- MolecularWeight: 308.419

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(S1)C(=O)[O-])C2=CC=CS2)C#N

Isomeric SMILES

CCCSC1=C(C(=C(S1)C(=O)[O-])C2=CC=CS2)C#N

InChI

InChI=1S/C13H11NO2S3/c1-2-5-18-13-8(7-14)10(9-4-3-6-17-9)11(19-13)12(15)16/h3-4,6H,2,5H2,1H3,(H,15,16)/p-1