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

Systemtic Name: 3-[3-[[1-(2-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[[1-(2-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[[1-(2-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[[1-(2-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[[1-(2-chlorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H18ClN3O4S/c1-13-10-16(14(2)27(13)17-7-5-6-15(11-17)23(31)32)12-18-21(29)26-24(33)28(22(18)30)20-9-4-3-8-19(20)25/h3-12H,1-2H3,(H,31,32)(H,26,29,33)