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

Systemtic Name: 3-[5-[(E)-[1-(3-chloranyl-2-methyl-phenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(E)-[1-(3-chloro-2-methyl-phenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-[1-(3-chloro-2-methyl-phenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-2-methyl-benzoic acid Formula: C24H17ClN2O5S MolecularWeight: 480.92018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C24H17ClN2O5S/c1-12-15(5-3-6-16(12)23(30)31)20-10-9-14(32-20)11-17-21(28)26-24(33)27(22(17)29)19-8-4-7-18(25)13(19)2/h3-11H,1-2H3,(H,30,31)(H,26,28,33)/b17-11+