5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C14H19N4S+ MolecularWeight: 275.39246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCC3

InChI

InChI=1S/C14H18N4S/c1-11-4-6-12(7-5-11)13-15-14(19)18(16-13)10-17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,15,16,19)/p+1