3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(4-methyl-1-piperazinyl)ethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(4-methylpiperazino)ethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H20N6O2S MolecularWeight: 348.4233

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O2S/c1-18-8-10-19(11-9-18)7-6-14-16-17-15(24)20(14)12-2-4-13(5-3-12)21(22)23/h2-5H,6-11H2,1H3,(H,17,24)