N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C27H24N4OS/c1-19-13-14-22(17-20(19)2)31(16-8-15-28)25(32)18-33-27-24-12-7-6-11-23(24)26(29-30-27)21-9-4-3-5-10-21/h3-7,9-14,17H,8,16,18H2,1-2H3