3-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[2-(4-methylanilino)thiazol-4-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[2-(4-methylanilino)-4-thiazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[[2-(p-toluidino)thiazol-4-yl]methyl]phthalazine-1-carboxylic acid Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H16N4O3S/c1-12-6-8-13(9-7-12)21-20-22-14(11-28-20)10-24-18(25)16-5-3-2-4-15(16)17(23-24)19(26)27/h2-9,11H,10H2,1H3,(H,21,22)(H,26,27)