7,8-dimethoxy-2-[2-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one

Systemtic Name: 7,8-dimethoxy-2-[2-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[2-[4-(1-naphthyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[2-[4-(1-naphthalenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[2-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[2-[4-(1-naphthyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C24H21N5O3S/c1-31-19-11-10-16-14-25-28(23(30)21(16)22(19)32-2)13-12-20-26-27-24(33)29(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14H,12-13H2,1-2H3,(H,27,33)