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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-13-7-9-14(10-8-13)22-21-23-15(12-29-21)11-28-20(27)18-16-5-3-4-6-17(16)19(26)25(2)24-18/h3-10,12H,11H2,1-2H3,(H,22,23)