2-(piperidin-1-ium-1-ylmethyl)-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(1-piperidin-1-iumylmethyl)-4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-o-cumenyl-2-(piperidin-1-ium-1-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5S/c1-17(2)19-10-4-5-11-20(19)27-21(18-9-8-12-23-15-18)24-26(22(27)28)16-25-13-6-3-7-14-25/h4-5,8-12,15,17H,3,6-7,13-14,16H2,1-2H3/p+1