N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S/c1-32-23-15-8-7-14-22(23)30(17-9-16-27)24(31)18-33-26-21-13-6-5-12-20(21)25(28-29-26)19-10-3-2-4-11-19/h2-8,10-15H,9,17-18H2,1H3