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

Systemtic Name: 7,8-dimethoxy-2-[2-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[2-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[2-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[2-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[2-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

InChI

InChI=1S/C21H21N5O3S/c1-13-6-4-5-7-15(13)26-17(23-24-21(26)30)10-11-25-20(27)18-14(12-22-25)8-9-16(28-2)19(18)29-3/h4-9,12H,10-11H2,1-3H3,(H,24,30)