N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-methyl-5-(2-pyridinyl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C25H19N5O2S MolecularWeight: 453.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C25H19N5O2S/c1-16-22(20-13-7-8-14-26-20)33-25(27-16)28-23(31)21-18-11-5-6-12-19(18)24(32)30(29-21)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,27,28,31)