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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2,5-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,5-dimethylphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,5-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(2,5-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)C[NH+]3CCOCC3

InChI

InChI=1S/C15H20N4OS/c1-12-3-4-13(2)14(9-12)18-10-16-19(15(18)21)11-17-5-7-20-8-6-17/h3-4,9-10H,5-8,11H2,1-2H3/p+1