5-(2-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-4-phenethyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-1,2,4-triazole-3-thione Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H26N4O2S/c1-27-20-10-6-5-9-19(20)21-23-26(17-24-13-15-28-16-14-24)22(29)25(21)12-11-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3/p+1