N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(1-phthalazinylthio)acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(phthalazin-1-ylthio)acetamide Formula: C18H13ClN6OS MolecularWeight: 396.85342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C18H13ClN6OS/c19-13-5-6-16(25-11-20-10-22-25)15(7-13)23-17(26)9-27-18-14-4-2-1-3-12(14)8-21-24-18/h1-8,10-11H,9H2,(H,23,26)