2-(azocan-1-ylmethyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ylmethyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ylmethyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azocanylmethyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ylmethyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ylmethyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C17H23FN4S MolecularWeight: 334.454723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCCCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H23FN4S/c1-20-16(14-7-9-15(18)10-8-14)19-22(17(20)23)13-21-11-5-3-2-4-6-12-21/h7-10H,2-6,11-13H2,1H3