N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21N5O2S/c1-17-16-18(2)29-27(28-17)35-21-14-12-19(13-15-21)30-25(33)24-22-10-6-7-11-23(22)26(34)32(31-24)20-8-4-3-5-9-20/h3-16H,1-2H3,(H,30,33)