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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H26N4O2S/c1-27-19-12-11-18(15-20(19)28-2)26-21(17-9-5-3-6-10-17)23-25(22(26)29)16-24-13-7-4-8-14-24/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3/p+1