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

Systemtic Name: methyl (2R)-4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C13H17N4O2S3+ MolecularWeight: 357.49468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C13H16N4O2S3/c1-19-12(18)10-7-16(4-6-22-10)8-17-13(20)14-11(15-17)9-3-2-5-21-9/h2-3,5,10H,4,6-8H2,1H3,(H,14,15,20)/p+1/t10-/m1/s1