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

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2S/c1-15-8-9-16(2)21(14-15)30-18-12-10-17(11-13-18)25-23(28)22-19-6-4-5-7-20(19)24(29)27(3)26-22/h4-14H,1-3H3,(H,25,28)