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

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C29H23N3O2S MolecularWeight: 477.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C29H23N3O2S/c1-19-12-17-26(20(2)18-19)35-23-15-13-21(14-16-23)30-28(33)27-24-10-6-7-11-25(24)29(34)32(31-27)22-8-4-3-5-9-22/h3-18H,1-2H3,(H,30,33)