2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C21H25FN5S+ MolecularWeight: 398.520103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H24FN5S/c1-2-24-12-14-25(15-13-24)16-26-21(28)27(19-6-4-3-5-7-19)20(23-26)17-8-10-18(22)11-9-17/h3-11H,2,12-16H2,1H3/p+1