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

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C23H19N3O2S MolecularWeight: 401.48086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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