2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylethanamide

Systemtic Name: 2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylethanamide Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanylacetamide CAS Name: 2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]acetamide IUPAC Name: 2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]acetamide Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)N

Isomeric SMILES

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)N

InChI

InChI=1S/C13H14N4OS/c1-2-7-15-12-9-5-3-4-6-10(9)13(17-16-12)19-8-11(14)18/h2-6H,1,7-8H2,(H2,14,18)(H,15,16)