N-(1-cyanocyclohexyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c24-16-23(13-7-2-8-14-23)25-20(28)15-29-22-19-12-6-5-11-18(19)21(26-27-22)17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-15H2,(H,25,28)