5-[(3,4-dimethylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C22H26N4O2S/c1-17-8-9-20(14-18(17)2)28-15-21-23-25(16-24-10-12-27-13-11-24)22(29)26(21)19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3/p+1