2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-4-pentyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Traditional Name: 4-amyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H27N6O2S+ MolecularWeight: 391.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N6O2S/c1-2-3-4-9-22-14-19-23(18(22)27)15-20-10-12-21(13-11-20)16-5-7-17(8-6-16)24(25)26/h5-8,14H,2-4,9-13,15H2,1H3/p+1