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4-propyl-2-(pyrrolidin-1-ylmethyl)-1-sulfanylidene-3H-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one
4-propyl-2-(pyrrolidin-1-ylmethyl)-1-sulfanylidene-3H-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one
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Descriptors Computed from Structure
Canonical SMILES:
CCC[N+]1=C2NN(C(=S)N2C3=CC=CC=C3C1=O)CN4CCCC4
Isomeric SMILES
CCC[N+]1=C2NN(C(=S)N2C3=CC=CC=C3C1=O)CN4CCCC4
InChI
InChI=1S/C17H21N5OS/c1-2-9-20-15(23)13-7-3-4-8-14(13)22-16(20)18-21(17(22)24)12-19-10-5-6-11-19/h3-4,7-8H,2,5-6,9-12H2,1H3/p+1
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- cyclopropyl-[(4-fluorophenyl)methyl]-[[4-(3-methoxypropyl)-5-oxidanylidene-1-sulfanylidene-3H-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-2-yl]methyl]azanium
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