N-pentan-3-yl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-pentan-3-yl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-pentan-3-yl-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-pentan-3-yl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(1-ethylpropyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-3-16(4-2)22-19(25)14-26-21-18-13-9-8-12-17(18)20(23-24-21)15-10-6-5-7-11-15/h5-13,16H,3-4,14H2,1-2H3,(H,22,25)