3-azanyl-5-butylsulfanyl-4-cyano-thiophene-2-carboxylic acid

Systemtic Name: 3-azanyl-5-butylsulfanyl-4-cyano-thiophene-2-carboxylic acid Openeye Name: 3-amino-5-butylsulfanyl-4-cyano-thiophene-2-carboxylic acid CAS Name: 3-amino-5-(butylthio)-4-cyano-2-thiophenecarboxylic acid IUPAC Name: 3-amino-5-butylsulfanyl-4-cyanothiophene-2-carboxylic acid Traditional Name: 3-amino-5-(butylthio)-4-cyano-2-thenoic acid Formula: C10H12N2O2S2 MolecularWeight: 256.34448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=C(S1)C(=O)O)N)C#N

Isomeric SMILES

CCCCSC1=C(C(=C(S1)C(=O)O)N)C#N

InChI

InChI=1S/C10H12N2O2S2/c1-2-3-4-15-10-6(5-11)7(12)8(16-10)9(13)14/h2-4,12H2,1H3,(H,13,14)