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

Systemtic Name: methyl (2R)-4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)CN2C(=S)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S2/c1-21-14(20)12-9-18(7-8-23-12)10-19-15(22)16-13(17-19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17,22)/t12-/m1/s1