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

Systemtic Name: methyl (2R)-4-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C14H17N5O2S2 MolecularWeight: 351.44708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O2S2/c1-21-13(20)12-9-17(7-8-23-12)10-18-14(22)19(16-15-18)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1