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

Systemtic Name: 4-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 4-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid CAS Name: 4-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-2-furanyl]-2-chlorobenzoic acid IUPAC Name: 4-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]furan-2-yl]-2-chlorobenzoic acid Traditional Name: 4-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid Formula: C15H9ClN2O3S MolecularWeight: 332.76156

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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)/b9-5+