5-[(4-ethylphenoxy)methyl]-4-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-ethylphenoxy)methyl]-4-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-[(4-ethylphenoxy)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(4-ethylphenoxy)methyl]-4-(phenylmethyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-[(4-ethylphenoxy)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-[(4-ethylphenoxy)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H28N4OS/c1-2-19-10-12-21(13-11-19)28-17-22-24-27(18-25-14-6-7-15-25)23(29)26(22)16-20-8-4-3-5-9-20/h3-5,8-13H,2,6-7,14-18H2,1H3/p+1