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

Systemtic Name: 4-(2,6-diethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-2-(4-morpholin-4-iumylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-3-17-7-5-8-18(4-2)20(17)27-21(19-9-6-10-23-15-19)24-26(22(27)29)16-25-11-13-28-14-12-25/h5-10,15H,3-4,11-14,16H2,1-2H3/p+1