3-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]benzoic acid Formula: C15H10N2O3S MolecularWeight: 298.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C15H10N2O3S/c16-8-11(14(17)21)7-12-4-5-13(20-12)9-2-1-3-10(6-9)15(18)19/h1-7H,(H2,17,21)(H,18,19)/b11-7+