3-azanyl-4-cyano-5-(phenylmethylsulfanyl)thiophene-2-carboxylic acid

Systemtic Name: 3-azanyl-4-cyano-5-(phenylmethylsulfanyl)thiophene-2-carboxylic acid Openeye Name: 3-amino-5-benzylsulfanyl-4-cyano-thiophene-2-carboxylic acid CAS Name: 3-amino-4-cyano-5-(phenylmethylthio)-2-thiophenecarboxylic acid IUPAC Name: 3-amino-5-benzylsulfanyl-4-cyanothiophene-2-carboxylic acid Traditional Name: 3-amino-5-(benzylthio)-4-cyano-2-thenoic acid Formula: C13H10N2O2S2 MolecularWeight: 290.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)O)N)C#N

InChI

InChI=1S/C13H10N2O2S2/c14-6-9-10(15)11(12(16)17)19-13(9)18-7-8-4-2-1-3-5-8/h1-5H,7,15H2,(H,16,17)