5-tert-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-[(E)-cinnamyl]piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C20H29N5S MolecularWeight: 371.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H29N5S/c1-20(2,3)18-21-19(26)25(22-18)16-24-14-12-23(13-15-24)11-7-10-17-8-5-4-6-9-17/h4-10H,11-16H2,1-3H3,(H,21,22,26)/b10-7+