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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5OS/c25-18-22(14-21-10-12-24-13-11-21)20-17(15-6-8-19-9-7-15)23(18)16-4-2-1-3-5-16/h1-9H,10-14H2/p+1