5-(2-ethoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-ethoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-ethoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-ethoxyphenyl)-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-ethoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-o-phenetyl-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C22H26N4OS/c1-2-27-20-14-8-7-13-19(20)21-23-25(17-24-15-9-4-10-16-24)22(28)26(21)18-11-5-3-6-12-18/h3,5-8,11-14H,2,4,9-10,15-17H2,1H3/p+1