3-(4-fluorophenyl)-2-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 3-(4-fluorophenyl)-2-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-2-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-imidazole-4-carboxylic acid CAS Name: 3-(4-fluorophenyl)-2-[[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]thio]-4-imidazolecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-2-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylimidazole-4-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-2-[[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]thio]imidazole-4-carboxylic acid Formula: C20H17FN4O6S MolecularWeight: 460.435583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O6S/c1-11-7-15(25(29)30)17(31-2)8-14(11)23-18(26)10-32-20-22-9-16(19(27)28)24(20)13-5-3-12(21)4-6-13/h3-9H,10H2,1-2H3,(H,23,26)(H,27,28)