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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

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