5-(4-ethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[(4-ethylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C17H25N5S MolecularWeight: 331.4789

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC

InChI

InChI=1S/C17H25N5S/c1-3-14-5-7-15(8-6-14)16-18-17(23)22(19-16)13-21-11-9-20(4-2)10-12-21/h5-8H,3-4,9-13H2,1-2H3,(H,18,19,23)