2-[2-(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one

Systemtic Name: 2-[2-(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C17H14N6OS MolecularWeight: 350.39766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CN=CC=C4

InChI

InChI=1S/C17H14N6OS/c24-16-14-6-2-1-4-12(14)10-19-22(16)9-7-15-20-21-17(25)23(15)13-5-3-8-18-11-13/h1-6,8,10-11H,7,9H2,(H,21,25)