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

Systemtic Name: 5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C16H20N4OS/c22-16-19(12-18-8-10-21-11-9-18)17-15(13-6-7-13)20(16)14-4-2-1-3-5-14/h1-5,13H,6-12H2/p+1