7-(4-chlorophenyl)-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 7-(4-chlorophenyl)-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 1-allyl-7-(4-chlorophenyl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 7-(4-chlorophenyl)-4-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(4-chlorophenyl)-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 1-allyl-7-(4-chlorophenyl)-4-keto-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid Formula: C17H12ClN3O3S MolecularWeight: 373.81348

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)NC1=S

Isomeric SMILES

C=CCN1C2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)NC1=S

InChI

InChI=1S/C17H12ClN3O3S/c1-2-7-21-14-13(15(22)20-17(21)25)11(16(23)24)8-12(19-14)9-3-5-10(18)6-4-9/h2-6,8H,1,7H2,(H,23,24)(H,20,22,25)