4-cyclohexyl-5-(2-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclohexyl-5-(2-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-5-(2-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-5-(2-fluorophenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-5-(2-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-5-(2-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H26FN4OS+ MolecularWeight: 377.499343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4F

InChI

InChI=1S/C19H25FN4OS/c20-17-9-5-4-8-16(17)18-21-23(14-22-10-12-25-13-11-22)19(26)24(18)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2/p+1