ethyl (3S)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl (3S)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylate Openeye Name: ethyl (3S)-4-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]thiomorpholine-3-carboxylate CAS Name: (3S)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylate Traditional Name: (3S)-4-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C16H22N4O2S3 MolecularWeight: 398.56648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCSCC2C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCSC[C@@H]2C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C16H22N4O2S3/c1-3-19-14(13-6-5-8-25-13)17-20(16(19)23)11-18-7-9-24-10-12(18)15(21)22-4-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3/t12-/m1/s1