N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22ClN3OS/c1-15-13-16(2)22(21(26)14-15)27-24(30)17(3)31-25-20-12-8-7-11-19(20)23(28-29-25)18-9-5-4-6-10-18/h4-14,17H,1-3H3,(H,27,30)