6-isothiocyanato-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-isothiocyanato-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid Openeye Name: 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-6-isothiocyanato-quinoline-3-carboxylic acid CAS Name: 6-isothiocyanato-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-quinolinecarboxylic acid IUPAC Name: 6-isothiocyanato-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-6-isothiocyanato-quinoline-3-carboxylic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=C3C=C(C=CC3=N2)N=C=S)C(=O)O)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=C3C=C(C=CC3=N2)N=C=S)C(=O)O)C

InChI

InChI=1S/C18H16N4O3S/c1-9(2)18(3)17(25)21-15(22-18)14-12(16(23)24)7-10-6-11(19-8-26)4-5-13(10)20-14/h4-7,9H,1-3H3,(H,23,24)(H,21,22,25)