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

Systemtic Name: methyl (2R)-4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C16H21N4O2S2+ MolecularWeight: 365.49354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S2/c1-18-14(12-6-4-3-5-7-12)17-20(16(18)23)11-19-8-9-24-13(10-19)15(21)22-2/h3-7,13H,8-11H2,1-2H3/p+1/t13-/m1/s1