N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H25N3O2S/c1-4-15-29-26(31)22-8-6-5-7-21(22)24(28-29)25(30)27-19-11-13-20(14-12-19)32-23-16-17(2)9-10-18(23)3/h5-14,16H,4,15H2,1-3H3,(H,27,30)