3-[3-[(Z)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate

Systemtic Name: 3-[3-[(Z)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: 3-[3-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoate IUPAC Name: 3-[3-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(Z)-[1-(2-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Formula: C25H19FN3O4S- MolecularWeight: 476.499463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H20FN3O4S/c1-13-11-16(15(3)28(13)20-10-6-7-17(14(20)2)24(32)33)12-18-22(30)27-25(34)29(23(18)31)21-9-5-4-8-19(21)26/h4-12H,1-3H3,(H,32,33)(H,27,30,34)/p-1/b18-12-