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

Systemtic Name: methyl (2R)-4-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C17H23N4O2S2+ MolecularWeight: 379.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCSC(C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCS[C@H](C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S2/c1-3-20-15(13-7-5-4-6-8-13)18-21(17(20)24)12-19-9-10-25-14(11-19)16(22)23-2/h4-8,14H,3,9-12H2,1-2H3/p+1/t14-/m1/s1