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

Systemtic Name: 3-butyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-keto-phthalazine-1-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H27N3O2S/c1-4-5-16-30-27(32)23-9-7-6-8-22(23)25(29-30)26(31)28-20-12-14-21(15-13-20)33-24-17-18(2)10-11-19(24)3/h6-15,17H,4-5,16H2,1-3H3,(H,28,31)