5-(1-methylsulfonylpiperidin-3-yl)-2-[(4-nitrophenyl)methyl]-4-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 5-(1-methylsulfonylpiperidin-3-yl)-2-[(4-nitrophenyl)methyl]-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 5-(1-methylsulfonyl-3-piperidyl)-2-[(4-nitrophenyl)methyl]-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 5-(1-methylsulfonyl-3-piperidinyl)-2-[(4-nitrophenyl)methyl]-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 5-(1-methylsulfonylpiperidin-3-yl)-2-[(4-nitrophenyl)methyl]-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-3-piperidyl)-2-(4-nitrobenzyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S2/c1-31(28,29)21-10-2-4-15(13-21)18-20-22(19(25)23(18)17-5-3-11-30-17)12-14-6-8-16(9-7-14)24(26)27/h3,5-9,11,15H,2,4,10,12-13H2,1H3