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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-2-8-19-15(14-6-4-3-5-7-14)17-20(16(19)22)13-18-9-11-21-12-10-18/h2-7H,1,8-13H2/p+1