5-(2-chlorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-chlorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-methyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C14H18ClN4S+ MolecularWeight: 309.83752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C14H17ClN4S/c1-17-13(11-6-2-3-7-12(11)15)16-19(14(17)20)10-18-8-4-5-9-18/h2-3,6-7H,4-5,8-10H2,1H3/p+1