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

Systemtic Name: N-(phenylmethyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanyl-N-benzyl-acetamide CAS Name: N-(phenylmethyl)-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]acetamide IUPAC Name: N-benzyl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]-N-benzyl-acetamide Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4OS/c1-2-12-21-19-16-10-6-7-11-17(16)20(24-23-19)26-14-18(25)22-13-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,21,23)(H,22,25)