4-(4-methylphenyl)-5-(phenoxymethyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-methylphenyl)-5-(phenoxymethyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(phenoxymethyl)-2-(1-piperidylmethyl)-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-methylphenyl)-5-(phenoxymethyl)-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methylphenyl)-5-(phenoxymethyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(phenoxymethyl)-2-(piperidinomethyl)-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCCC3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCCC3)COC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-18-10-12-19(13-11-18)26-21(16-27-20-8-4-2-5-9-20)23-25(22(26)28)17-24-14-6-3-7-15-24/h2,4-5,8-13H,3,6-7,14-17H2,1H3