4-[2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]amino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C19H26N5O4S2- MolecularWeight: 452.57084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)[S-]

InChI

InChI=1S/C19H27N5O4S2/c1-3-4-17-21-22-19(29)24(17)13-18(25)20-14-9-11-23(12-10-14)30(26,27)16-7-5-15(28-2)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,25)(H,22,29)/p-1