methyl (2R)-4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C15H20N5O2S2+ MolecularWeight: 366.4816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCSC(C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCS[C@H](C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C15H19N5O2S2/c1-18-13(11-3-5-16-6-4-11)17-20(15(18)23)10-19-7-8-24-12(9-19)14(21)22-2/h3-6,12H,7-10H2,1-2H3/p+1/t12-/m1/s1