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

Systemtic Name: 4-(4-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-(4-morpholin-4-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C18H19ClN5OS+ MolecularWeight: 388.89436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5OS/c19-15-1-3-16(4-2-15)24-17(14-5-7-20-8-6-14)21-23(18(24)26)13-22-9-11-25-12-10-22/h1-8H,9-13H2/p+1