4-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: 4-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: 4-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]-2-chloro-benzoate CAS Name: 4-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-2-furanyl]-2-chlorobenzoate IUPAC Name: 4-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 4-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]-2-chloro-benzoate Formula: C15H8ClN2O3S- MolecularWeight: 331.75362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=C(C#N)C(=S)N)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)/C=C(\C#N)/C(=S)N)Cl)C(=O)[O-]

InChI

InChI=1S/C15H9ClN2O3S/c16-12-6-8(1-3-11(12)15(19)20)13-4-2-10(21-13)5-9(7-17)14(18)22/h1-6H,(H2,18,22)(H,19,20)/p-1/b9-5+