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

Systemtic Name: 5-(furan-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(2-furyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-(4-morpholin-4-iumylmethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(furan-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(2-furyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4O2S/c25-18-21(13-15-5-2-1-3-6-15)17(16-7-4-10-24-16)19-22(18)14-20-8-11-23-12-9-20/h1-7,10H,8-9,11-14H2/p+1