4-ethyl-5-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-phenyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperazino)methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5S/c1-2-26-21(20-11-7-4-8-12-20)23-27(22(26)28)18-25-15-13-24(14-16-25)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3