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

Systemtic Name: 4-cyclopropyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-nosylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN(C2=S)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C=NN(C2=S)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S2/c23-22(24)14-3-5-15(6-4-14)28(25,26)19-9-7-18(8-10-19)12-21-16(27)20(11-17-21)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2