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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5OS/c26-19-23(14-16-4-2-1-3-5-16)18(17-6-8-20-9-7-17)21-24(19)15-22-10-12-25-13-11-22/h1-9H,10-15H2/p+1