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

Systemtic Name: 7,8-dimethoxy-2-[(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[[4-(1-naphthyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[[4-(1-naphthalenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[[4-(1-naphthyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C23H19N5O3S/c1-30-18-11-10-15-12-24-27(22(29)20(15)21(18)31-2)13-19-25-26-23(32)28(19)17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3,(H,26,32)