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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C18H21N4OS2+ MolecularWeight: 373.51554

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS2/c24-18-21(13-15-5-2-1-3-6-15)17(16-7-4-12-25-16)19-22(18)14-20-8-10-23-11-9-20/h1-7,12H,8-11,13-14H2/p+1