1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione

Systemtic Name: 1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione Openeye Name: 1-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione CAS Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione IUPAC Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione Traditional Name: 1-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione Formula: C20H27FN6OS+2 MolecularWeight: 418.531383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=S)N(N12)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC)C

Isomeric SMILES

CC1=CC(=NC2=NC(=S)N(N12)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC)C

InChI

InChI=1S/C20H25FN6OS/c1-14-10-15(2)27-19(22-14)23-20(29)26(27)13-25-8-6-24(7-9-25)12-16-11-17(21)4-5-18(16)28-3/h4-5,10-11H,6-9,12-13H2,1-3H3/p+2