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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2S/c1-14-7-10-18(13-15(14)2)29-17-11-8-16(9-12-17)24-23(28)21-19-5-3-4-6-20(19)22(27)26-25-21/h3-13H,1-2H3,(H,24,28)(H,26,27)