N-tert-butyl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanyl-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]-N-tert-butyl-acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)NCC=C

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)NCC=C

InChI

InChI=1S/C17H22N4OS/c1-5-10-18-15-12-8-6-7-9-13(12)16(21-20-15)23-11-14(22)19-17(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,18,20)(H,19,22)