4-chloranyl-3-[5-[(E)-[1-(3-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 4-chloranyl-3-[5-[(E)-[1-(3-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[5-[(E)-[1-(3-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 4-chloro-3-[5-[(E)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-chloro-3-[5-[(E)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[5-[(E)-[1-(3-chlorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C22H12Cl2N2O5S MolecularWeight: 487.31208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C(=O)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)/C(=O)NC2=S

InChI

InChI=1S/C22H12Cl2N2O5S/c23-12-2-1-3-13(9-12)26-20(28)16(19(27)25-22(26)32)10-14-5-7-18(31-14)15-8-11(21(29)30)4-6-17(15)24/h1-10H,(H,29,30)(H,25,27,32)/b16-10+