4-ethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-nosylpiperazino)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23N7O4S2 MolecularWeight: 489.57112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C20H23N7O4S2/c1-2-25-19(16-7-9-21-10-8-16)22-26(20(25)32)15-23-11-13-24(14-12-23)33(30,31)18-5-3-17(4-6-18)27(28)29/h3-10H,2,11-15H2,1H3