(phenylmethyl) 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid benzyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CNC1=NN=C(S1)SCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S2/c1-13-11-14-15-12(19-11)18-8-10(16)17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)