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

Systemtic Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-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)N1C2CC2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O2S/c1-13-18-21(17(26)22(13)15-4-5-15)12-19-8-10-20(11-9-19)14-2-6-16(7-3-14)23(24)25/h2-3,6-7,15H,4-5,8-12H2,1H3/p+1