4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)benzoic acid Openeye Name: 4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)benzoic acid CAS Name: 4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)benzoic acid IUPAC Name: 4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)benzoic acid Traditional Name: 4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)benzoic acid Formula: C11H8N2O2S MolecularWeight: 232.25842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=S)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=C(C#N)C(=S)N)C(=O)O

InChI

InChI=1S/C11H8N2O2S/c12-6-9(10(13)16)5-7-1-3-8(4-2-7)11(14)15/h1-5H,(H2,13,16)(H,14,15)