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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=S)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=S)N)Cl

InChI

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