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

Systemtic Name: 5-(5-bromanylfuran-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(5-bromo-2-furyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(5-bromo-2-furanyl)-2-(4-morpholin-4-iumylmethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(5-bromofuran-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(5-bromo-2-furyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H20BrN4O2S+ MolecularWeight: 436.346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=C(O3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=C(O3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C18H19BrN4O2S/c19-16-7-6-15(25-16)17-20-23(13-21-8-10-24-11-9-21)18(26)22(17)12-14-4-2-1-3-5-14/h1-7H,8-13H2/p+1