5-[(2-phenylphenoxy)methyl]-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(2-phenylphenoxy)methyl]-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-[(2-phenylphenoxy)methyl]-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(2-phenylphenoxy)methyl]-2-(1-piperidin-1-iumylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-phenylphenoxy)methyl]-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-[(2-phenylphenoxy)methyl]-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCCCC2)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCCCC2)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-2-15-27-23(25-28(24(27)30)19-26-16-9-4-10-17-26)18-29-22-14-8-7-13-21(22)20-11-5-3-6-12-20/h2-3,5-8,11-14H,1,4,9-10,15-19H2/p+1