5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-(2-furylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-(2-furfuryl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2CC3=CC=CO3)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2CC3=CC=CO3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H28N4O2S/c1-22(2,3)18-8-6-17(7-9-18)20-23-26(16-24-10-13-27-14-11-24)21(29)25(20)15-19-5-4-12-28-19/h4-9,12H,10-11,13-16H2,1-3H3/p+1