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

Systemtic Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H23N6O2S+ MolecularWeight: 375.46852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O2S/c1-3-8-21-14(2)18-22(17(21)26)13-19-9-11-20(12-10-19)15-4-6-16(7-5-15)23(24)25/h3-7H,1,8-13H2,2H3/p+1