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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C24H17ClN6OS MolecularWeight: 472.94938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5

InChI

InChI=1S/C24H17ClN6OS/c25-17-10-11-21(31-15-26-14-27-31)20(12-17)28-22(32)13-33-24-19-9-5-4-8-18(19)23(29-30-24)16-6-2-1-3-7-16/h1-12,14-15H,13H2,(H,28,32)