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

Systemtic Name: 5-(3-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(3-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(3-fluorophenyl)-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(3-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C19H20FN4OS+ MolecularWeight: 371.451703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C19H19FN4OS/c20-16-6-4-5-15(13-16)18-21-23(14-22-9-11-25-12-10-22)19(26)24(18)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2/p+1