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

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-1-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[(4-indan-1-yl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[[4-(2,3-dihydro-1H-inden-1-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-1-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[(4-indan-1-yl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-7,8-dimethoxy-phthalazin-1-one Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4CCC5=CC=CC=C45)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4CCC5=CC=CC=C45)OC

InChI

InChI=1S/C22H21N5O3S/c1-29-17-10-8-14-11-23-26(21(28)19(14)20(17)30-2)12-18-24-25-22(31)27(18)16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10-11,16H,7,9,12H2,1-2H3,(H,25,31)