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

Systemtic Name: 2-[2-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H19N5O3S/c1-27-14-7-8-17(28-2)16(11-14)25-18(22-23-20(25)29)9-10-24-19(26)15-6-4-3-5-13(15)12-21-24/h3-8,11-12H,9-10H2,1-2H3,(H,23,29)