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

Systemtic Name: N-butyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-butyl-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-butyl-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-butyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-butyl-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-2-3-13-21-18(24)14-25-20-17-12-8-7-11-16(17)19(22-23-20)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,21,24)