4-(2,6-diethylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,6-diethylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-2-(1-piperidin-1-iumylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H30N5S+ MolecularWeight: 408.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C23H29N5S/c1-3-18-10-8-11-19(4-2)21(18)28-22(20-12-9-13-24-16-20)25-27(23(28)29)17-26-14-6-5-7-15-26/h8-13,16H,3-7,14-15,17H2,1-2H3/p+1