N-(1,3-benzodioxol-5-yl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(phthalazin-1-ylthio)acetamide Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C17H13N3O3S/c21-16(19-12-5-6-14-15(7-12)23-10-22-14)9-24-17-13-4-2-1-3-11(13)8-18-20-17/h1-8H,9-10H2,(H,19,21)